Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.44 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5692 | 0.97 | MAOA (0.52) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| SCHEMBL8198726 | 0.97 | MAOA (0.52) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| Hydrochloric Acid SCHEMBL6864147 | 0.95 | MAOA (0.50) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL7709867 | 0.95 | MAOA (0.50) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| SCHEMBL9054706 | 0.92 | MAOA (0.47) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| SCHEMBL11142603 | 0.92 | MAOA (0.47) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| SCHEMBL11238228 | 0.92 | TRPA1 (0.49) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| Carbonotrithioic Acid SCHEMBL10952585 | 0.90 | MAOA (0.44) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| Sulfamate SCHEMBL6757270 | 0.88 | MAOA (0.43) | MAOAMAOBTRPA1ALOX5CYP2C9 | |
| SCHEMBL215997 | 0.88 | MAOA (0.43) | MAOAMAOBTRPA1ALOX5CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691004-A | Method of treating light metal cylinder bore walls to receive thermal sprayed metal coatings | FORD GLOBAL TECHNOLOGIES, INC. (US) | 1997-11-25 | — | — | US | claimed |
| EP-0818554-A2 | Method of preparing and coating aluminium cylinder bores | Ford Global Technologies, Inc. (US) | 1998-01-14 | — | — | EP | disclosed |
| US-5691004-A | Method of treating light metal cylinder bore walls to receive thermal sprayed metal coatings | FORD GLOBAL TECHNOLOGIES, INC. (US) | 1997-11-25 | — | — | US | disclosed |