Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.45 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.96 |
| ▸ | TP53 | P04637 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | F2 | P00734 | 1/20 | 0.54 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.48 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL312080 | 1.00 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA | |
| Water SCHEMBL365251 | 1.00 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL7685 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL221678 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL670257 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL14117921 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL11886503 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL223030 | 0.98 | TSHR (1.00) | TSHRTP53CYP2D6RECQLLMNA | |
| Ammonia Solution, Strong SCHEMBL11444695 | 0.96 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL28149702 | 0.96 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 376 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260132108-A1 | PREPARATION OF MESEMBRINE | KANNA HEALTH LTD (GB) | 2026-05-14 | — | — | US | claimed |
| EP-4688761-A1 | (S)-TIANEPTINE AND USE IN TREATING DISORDERS AND CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR | Tonix Pharma Limited (IE) | 2026-02-11 | — | — | EP | claimed |
| US-20250276974-A1 | PROCESS FOR PREPARING ZANUBRUTINIB IN AMORPHOUS FORM | OLON S.P.A. (IT) | 2025-09-04 | — | — | US | claimed |
| EP-4598904-A1 | PREPARATION OF MESEMBRINE | Kanna Health Limited (GB) | 2025-08-13 | — | — | EP | claimed |
| EP-4509183-A2 | CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF | BeiGene Switzerland GmbH (CH) | 2025-02-19 | — | — | EP | claimed |
| WO-2025024795-A1 | CRYSTALLINE FORMS | NEUROCRINE BIOSCIENCES, INC. (US) | 2025-01-30 | — | — | WO | claimed |
| US-20240409546-A1 | CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF | BEONE MEDICINES I GMBH (CH) | 2024-12-12 | — | — | US | claimed |
| CN-114409552-B | Levorotatory sand hydrochloride preparation method of butylamine alcohol | 广州博济生物医药科技园有限公司 | 2024-11-05 | — | — | CN | claimed |
| WO-2024206520-A1 | (S)-TIANEPTINE AND USE IN TREATING DISORDERS AND CONDITIONS ASSOCIATED WITH PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR | TONIX PHARMACEUTICALS HOLDING CORP. (US) | 2024-10-03 | — | — | WO | claimed |
| US-12103931-B2 | Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof | BEIGENE SWITZERLAND GMBH (CH) | 2024-10-01 | — | — | US | claimed |
| US-10252986-B2 | Process for the preparation of exametazime | Jubilant Generics Limited (IN) | 2019-04-09 | — | — | US | claimed |
| US-20180215700-A1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | SUVEN LIFE SCIENCES LIMITED (IN) | 2018-08-02 | — | — | US | claimed |
| EP-3325432-A1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | Celgene Corporation (US) | 2018-05-30 | — | — | EP | claimed |
| CN-107922287-A | Synthesize the method for 2 methyl cyclohexane alcohol hydrochloride of (1R, 2R, 5R) 5 amino and wherein available intermediate | 细胞基因公司 | 2018-04-17 | — | — | CN | claimed |
| WO-2017019487-A1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | CELGENE CORPORATION (US) | 2017-02-02 | — | — | WO | claimed |
| EP-3122708-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | Jubilant Life Sciences Limited (IN) | 2017-02-01 | — | — | EP | claimed |
| US-20170015620-A1 | PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT DRAXIMAGE INC. (CA) | 2017-01-19 | — | — | US | claimed |
| WO-2015145302-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT LIFE SCIENCES LIMITED (IN) | 2015-10-01 | — | — | WO | claimed |
| WO-2010128517-A1 | IMPROVED PROCESS FOR THE PREPARATION OF D-THREO-RITALINIC ACID HYDROCHLORIDE BY RESOLUTION OF DL-THREO-RITALINIC ACID USING CHIRAL CARBOXYLIC ACID | MALLADI DRUGS & PHARMACEUTICALS LTD. (IN) | 2010-11-11 | — | — | WO | claimed |
| EP-0924188-A1 | Production of 0,0'-diacyltartaric acid crystals | TORAY INDUSTRIES, INC. (JP) | 1999-06-23 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20250276974-A1 | PROCESS FOR PREPARING ZANUBRUTINIB IN AMORPHOUS FORM | ZYX, ABL2, FYN | ESR1 4249/4885ESR2 4825/4885SLC6A3 2981/4885 |
| US-20260132108-A1 | PREPARATION OF MESEMBRINE | BHMT, TMSB10, MSMO1 | ESR1 4178/4885ESR2 4002/4885SLC6A3 196/4885 |
| US-20240409546-A1 | CRYSTALLINE FORM OF (S)-7-(1-ACRYLOYLPIPERIDIN-4-YL)-2-(4-PHENOXYPHENYL)-4,5,6,7-TETRA-HYDROPYRAZOLO[1,5-a]PYRIMIDINE-3-CARBOXAMIDE, PREPARATION, AND USES THEREOF | BTK, LCK, SYK | ESR1 3941/4885ESR2 4811/4885SLC6A3 3429/4885 |
| US-12103931-B2 | Crystalline form of (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetra-hydropyrazolo[1,5-a]pyrimidine-3-carboxamide, preparation, and uses thereof | BTK, LCK, SYK | ESR1 3941/4885ESR2 4811/4885SLC6A3 3429/4885 |
| US-20170015620-A1 | PROCESS FOR THE PREPARATION OF EXAMETAZIME | CUL5, SAMM50, ADRM1 | ESR1 2624/4885ESR2 3509/4885SLC6A3 2496/4885 |
| US-20180215700-A1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | MAPKAPK2, CYP11B2, MAP3K8 | ESR1 3358/4885ESR2 1030/4885SLC6A3 2229/4885 |
| US-10252986-B2 | Process for the preparation of exametazime | CUL5, SAMM50, ADRM1 | ESR1 2624/4885ESR2 3509/4885SLC6A3 2496/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.