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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 known ✓ | P13945 | 2/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
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 SCHEMBL27904391 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| Water SCHEMBL789812 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| Water SCHEMBL1818831 | 1.00 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL7686 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL2904556 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL1483657 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL221679 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL223031 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL27362899 | 0.98 | TSHR (0.43) | TSHRTP53ALDH1A1LMNAF2 | |
| SCHEMBL3946464 | 0.97 | TSHR (0.42) | TSHRTP53ALDH1A1LMNAF2 |
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 199 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-4598904-A1 | PREPARATION OF MESEMBRINE | Kanna Health Limited (GB) | 2025-08-13 | — | — | EP | claimed |
| EP-3122708-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME | JUBILANT GENERICS LTD (IN) | 2024-06-12 | — | — | EP | claimed |
| EP-3795553-B1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | CELGENE CORP (US) | 2024-05-15 | — | — | EP | claimed |
| CN-117924274-A | Synthesis method of non-neridrones | 江苏德源药业股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| WO-2024074831-A1 | PREPARATION OF MESEMBRINE | Kanna Health Limited (GB) | 2024-04-11 | — | — | WO | claimed |
| CN-116891471-A | Preparation method of non-neridrone bulk drug | 江苏德源药业股份有限公司 | 2023-10-17 | — | — | CN | claimed |
| US-11760750-B1 | Process for preparing levoketoconazole | NURAY CHEMICALS PRIVATE LIMITED (IN) | 2023-09-19 | — | — | US | claimed |
| US-11192847-B2 | Methods of synthesis of (1R,2R,5R)-5-amino-2-methylcyclohexanol hydrochloride and intermediates useful therein | CELGENE CORPORATION (US) | 2021-12-07 | — | — | US | claimed |
| CN-107922287-B | Process for the synthesis of (1R,2R,5R) -5-amino-2-methylcyclohexanol hydrochloride and intermediates useful therein | 细胞基因公司 | 2021-04-09 | — | — | CN | claimed |
| US-10252981-B2 | Methods of synthesis of (1R,2R,5R)-5-amino-2-methylcyclohexanol hydrochloride and intermediates useful therein | CELGENE CORPORATION (US) | 2019-04-09 | — | — | 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 |
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-20260132108-A1 | PREPARATION OF MESEMBRINE | BHMT, TMSB10, MSMO1 | ADRB2 570/4885ADRB1 643/4885ADRB3 602/4885 |
| US-10252981-B2 | Methods of synthesis of (1R,2R,5R)-5-amino-2-methylcyclohexanol hydrochloride and intermediates useful therein | MAPKAPK2, CYP11B2, MAP3K8 | ADRB2 170/4885ADRB1 286/4885ADRB3 506/4885 |
| US-11192847-B2 | Methods of synthesis of (1R,2R,5R)-5-amino-2-methylcyclohexanol hydrochloride and intermediates useful therein | MAPKAPK2, CYP11B2, MAP3K8 | ADRB2 170/4885ADRB1 286/4885ADRB3 506/4885 |
| US-20170015620-A1 | PROCESS FOR THE PREPARATION OF EXAMETAZIME | CUL5, SAMM50, ADRM1 | ADRB2 434/4885ADRB1 225/4885ADRB3 658/4885 |
| US-20180215700-A1 | METHODS OF SYNTHESIS OF (1R,2R,5R)-5-AMINO-2-METHYLCYCLOHEXANOL HYDROCHLORIDE AND INTERMEDIATES USEFUL THEREIN | MAPKAPK2, CYP11B2, MAP3K8 | ADRB2 170/4885ADRB1 286/4885ADRB3 506/4885 |
| US-10252986-B2 | Process for the preparation of exametazime | CUL5, SAMM50, ADRM1 | ADRB2 434/4885ADRB1 225/4885ADRB3 658/4885 |
| US-11760750-B1 | Process for preparing levoketoconazole | KHK, KYAT3, PLK3 | ADRB2 1631/4885ADRB1 1528/4885ADRB3 409/4885 |
“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.