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 | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 3/20 | 0.49 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.49 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.49 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.45 |
| ▸ | TERT | O14746 | 3/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.49 |
| ▸ | PPARD | Q03181 | 3/20 | 0.49 |
| ▸ | PPARA | Q07869 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TOP1 | P11387 | 3/20 | 0.49 |
| ▸ | BLM | P54132 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | FABP4 | P15090 | 2/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2228889 | 0.97 | TERT (0.51) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL27998592 | 0.97 | TERT (0.51) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL16322869 | 0.97 | TERT (0.51) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL2228887 | 0.97 | TERT (0.51) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL27998317 | 0.95 | TERT (0.50) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL27998318 | 0.95 | TERT (0.50) | TERTPTPN1PPARGPPARDPPARA | |
| SCHEMBL2565596 | 0.92 | MAPT (0.56) | PPARGPPARDPPARAMAPTBLM | |
| SCHEMBL3503266 | 0.91 | FASN (0.54) | PPARGMAPTBLMHSD17B10FABP4 | |
| SCHEMBL7347077 | 0.88 | POLB (0.49) | PTPN1PPARGPPARDPPARAMAPT | |
| SCHEMBL7753268 | 0.88 | POLB (0.49) | PTPN1PPARGPPARDPPARAMAPT |
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-104479248-A | C22 plant oil base PVC solid heat stabilizer and preparation method thereof | UNIV JIANGNAN | 2015-04-01 | — | — | CN | claimed |
| CN-104479248-A | C22 plant oil base PVC solid heat stabilizer and preparation method thereof | UNIV JIANGNAN | 2015-04-01 | — | — | CN | disclosed |