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 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SI | P14410 | 1/20 | 0.47 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL29945078 | 0.92 | MGAM (0.53) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL29629178 | 0.92 | — | — | |
| SCHEMBL29629167 | 0.92 | — | — | |
| Water SCHEMBL23701696 | 0.88 | MGAM (0.50) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL2128645 | 0.88 | MGAM (0.56) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL10389469 | 0.88 | MGAM (0.56) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL1608 | 0.88 | — | — | |
| Water SCHEMBL4455753 | 0.85 | MGAM (0.47) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL21404935 | 0.84 | — | — | |
| SCHEMBL9140585 | 0.84 | MGAM (0.53) | MGAMGAASIMGAM2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109897596-A | A kind of Chinese fir bark adhesive of artificial board | 贵州大学 | 2019-06-18 | — | — | CN | disclosed |