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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.48 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.48 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.46 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.45 |
| ▸ | ADORA2A known ✓ | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7050133 | 0.97 | NPC1 (0.50) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL7365590 | 0.83 | CA12 (0.49) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL348215 | 0.80 | LMNA (0.54) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL72493 | 0.78 | LMNA (0.53) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL121110 | 0.78 | LMNA (0.53) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL6606644 | 0.78 | LMNA (0.53) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL73352 | 0.78 | LMNA (0.56) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL11303560 | 0.76 | LMNA (0.54) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL5723536 | 0.76 | LMNA (0.50) | NPC1RAB9AMAPTSMN1; SMN2KDM4E | |
| SCHEMBL73237 | 0.76 | ALDH1A1 (0.52) | NPC1RAB9AMAPTSMN1; SMN2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901482-A1 | BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE | Darwin Discovery Limited (GB) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997044337-A1 | BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE | DARWIN DISCOVERY LIMITED (GB) | 1997-11-27 | — | — | WO | disclosed |