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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 9/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 9/20 | 0.46 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.46 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 8/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31738395 | 0.97 | TSHR (0.49) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL160139 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL161091 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL160144 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL160041 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL159300 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL157657 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL158971 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL10420606 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 | |
| SCHEMBL158975 | 0.97 | ABCB1 (0.50) | TSHRRECQLGLAHPGDMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102212428-A | Mirabilis jalapa violet phosphorus-free perfumed washing powder | DAYUAN ZHANG | 2011-10-12 | — | — | CN | disclosed |
| CN-1066876-A | Disinfecting cleaning cream and preparation method thereof | QUAN LIMIN (CN) | 1992-12-09 | — | — | CN | disclosed |