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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 4/20 | 0.42 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.39 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 7/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.48 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL311198 | 0.95 | ERN1 (0.54) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| SCHEMBL30522433 | 0.92 | ERN1 (0.52) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| Charcoal, Activated SCHEMBL29407959 | 0.92 | ERN1 (0.52) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| SCHEMBL29220003 | 0.92 | ERN1 (0.52) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| SCHEMBL30541650 | 0.92 | ERN1 (0.52) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| Chloroacetic Acid SCHEMBL10715796 | 0.84 | ERN1 (0.38) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| Biphenyl SCHEMBL27258264 | 0.83 | HDAC4 (0.52) | ERN1TRIM24TRIM33ALDH1A1MEN1 | |
| SCHEMBL1302180 | 0.80 | ERN1 (0.64) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| Potassium Ion SCHEMBL28720832 | 0.80 | TRPA1 (0.46) | ERN1TRIM24TRIM33ALDH1A1TDP1 | |
| SCHEMBL412923 | 0.78 | TRPA1 (0.50) | ERN1TRIM24TRIM33ALDH1A1TDP1 |
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-115010401-B | Environment-friendly heat-preservation wallboard and preparation method thereof | 四川省雍景投资集团有限责任公司 | 2023-08-01 | — | — | CN | disclosed |