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 |
| ▸ | ITGB3 known ✓ | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B known ✓ | P08514 | 1/20 | 0.47 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.47 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.46 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GGT1 | P19440 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 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 SCHEMBL8643839 | 1.00 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL10792720 | 0.98 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL1115165 | 0.98 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Magnesium SCHEMBL960154 | 0.98 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL4303934 | 0.98 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL27797324 | 0.96 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL27370626 | 0.96 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL2197935 | 0.96 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL7473392 | 0.96 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Water SCHEMBL9614449 | 0.96 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD |
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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100301288-A1 | PREPARATION OF NUCLEAR FUEL COMPOSITION AND RECYCLING | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2010-12-02 | — | — | US | claimed |
| US-20090270499-A1 | Process for Synthesizing Atazanavir | OXYRANE (UK) LIMITED (UK) | 2009-10-29 | — | — | US | claimed |
| WO-2009130534-A1 | PROCESS FOR SYNTHESIZING ATAZANAVIR | OXYRANE (PTY) LTD. (ZA) | 2009-10-29 | — | — | WO | claimed |
| US-12534442-B2 | Benzisoxazole derivative | Sumitomo Pharma Co., Ltd. (JP) | 2026-01-27 | — | — | US | disclosed |
| US-20260015313-A1 | AMINO ACID ACTIVE ESTER AND SALT THEREOF | PEPTIDREAM INC (JP) | 2026-01-15 | — | — | US | disclosed |
| WO-2025242860-A2 | PHYTOSTEROL DERIVATIVES, AND COMPOSITIONS COMPRISING THE SAME, FOR USE AS MEDICAMENTS | Institut National de la Santé et de la Recherche Médicale (FR) | 2025-11-27 | — | — | WO | disclosed |
| EP-4646421-A1 | FLUORO-OXYSTEROLS POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS | Institut National de la Santé et de la Recherche Médicale (FR) | 2025-11-12 | — | — | EP | disclosed |
| EP-4534524-A1 | AMINO ACID ACTIVE ESTER AND SALT THEREOF | PeptiDream Inc. (JP) | 2025-04-09 | — | — | EP | disclosed |
| US-20250059200-A1 | PROCESS FOR C-H INSERTION BY GEM-HYDROGENATION OF AN INTERNAL ALKYNE | STUDIENGESELLSCHAFT KOHLE GGMBH (DE) | 2025-02-20 | — | — | US | disclosed |
| WO-2024146880-A1 | FLUORO-OXYSTEROLS POSITRON EMISSION TOMOGRAPHY (PET) RADIOTRACERS | Institut National de la Santé et de la Recherche Médicale (FR) | 2024-07-11 | — | — | WO | disclosed |
| US-11858953-B2 | Compositions and methods for synthesis of phosphorylated molecules | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-01-02 | — | — | US | disclosed |
| US-5792879-A | OXIDIZING LEUCO COMPOUND IN PRESENCE OF DILUENT AND HEAVY METAL COMPLEX OXYGEN TRANSFER CATALYST WITH HYDROGEN PEROXIDE, ORGANIC HYDROPEROXIDE OR PERCARBOXYLIC ACID | BASF AKTIENGESELLSCHAFT (DE) | 1998-08-11 | — | — | US | disclosed |
| US-5712416-A | Preparation of benzoquinones by oxidation of phenols | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-27 | — | — | US | disclosed |
| EP-0659727-B1 | Process for the preparation of benzoquinones by oxidation of phenoles | BASF AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| US-5659053-A | REACTING A LEUCO COMPOUND WITH HYDROGEN PEROXIDE USING AN OXYGEN TRANSFER CATALYST IN THE PRESENCE OF A DILUENT AND THE ABSENCE OF CHLORANIL | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |
| EP-0568806-B1 | Method for producing diarylmethane or triarylmethane dyestuffs by oxidation | BASF AG (DE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0659727-A1 | Process for the preparation of benzoquinones by oxidation of phenoles | BASF AKTIENGESELLSCHAFT (DE) | 1995-06-28 | — | — | EP | disclosed |
| US-5428140-A | Oxidation of disazo dye with hydrogen peroxide forming fiber reactive dyes | BASF AKTIENGESELLSCHAFT (DE) | 1995-06-27 | — | — | US | disclosed |
| EP-0630947-A1 | Phenylazo- or Naphthylazobenzoles having thioether groups | BASF Aktiengesellschaft (DE) | 1994-12-28 | — | — | EP | disclosed |
| EP-0568806-A1 | Method for producing diarylmethane or triarylmethane dyestuffs by oxidation | BASF Aktiengesellschaft (DE) | 1993-11-10 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-11858953-B2 | Compositions and methods for synthesis of phosphorylated molecules | PIK3CA, CHAMP1, TYMP | ESR1 2641/4885ITGB3 2206/4885ITGA2B 3519/4885 |
| US-20250059200-A1 | PROCESS FOR C-H INSERTION BY GEM-HYDROGENATION OF AN INTERNAL ALKYNE | GGH, GEMIN4, GMNN | ESR1 2117/4885ITGB3 2199/4885ITGA2B 3050/4885 |
| US-20260015313-A1 | AMINO ACID ACTIVE ESTER AND SALT THEREOF | NSUN3, BCAT1, SLC43A1 | ESR1 2780/4885ITGB3 2864/4885ITGA2B 3805/4885 |
| US-12534442-B2 | Benzisoxazole derivative | GABRA6, SLC6A1, GABRA1 | ESR1 4274/4885ITGB3 1510/4885ITGA2B 3495/4885 |
| US-20090270499-A1 | Process for Synthesizing Atazanavir | SAMHD1, TYMS, COASY | ESR1 2933/4885ITGB3 4591/4885ITGA2B 4501/4885 |
“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.