Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.43 |
| ▸ | P2RY2 known ✓ | P41231 | 3/20 | 0.38 |
| ▸ | P2RY4 known ✓ | P51582 | 3/20 | 0.38 |
| ▸ | P2RY12 known ✓ | Q9H244 | 3/20 | 0.38 |
| ▸ | P2RY1 known ✓ | P47900 | 2/20 | 0.38 |
| ▸ | P2RY6 known ✓ | Q15077 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.41 |
| ▸ | PKLR | P30613 | 3/20 | 0.41 |
| ▸ | PGAM1 | P18669 | 2/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | HGF | P14210 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL11649750 | 0.96 | PTGS2 (0.43) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL1870051 | 0.84 | PTGS2 (0.48) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL29213550 | 0.84 | PKLR (0.46) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL31276980 | 0.84 | PTGS2 (0.48) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL29194064 | 0.84 | PTGS2 (0.48) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL537547 | 0.82 | AKR1B1 (0.42) | PTGS2HNF4AHDAC4HDAC2HDAC8 | |
| SCHEMBL31149191 | 0.81 | PTGS2 (0.43) | PTGS2PTPN1PKLRPGAM1FTO | |
| SCHEMBL25209059 | 0.81 | PTGS2 (0.50) | PTGS2PTPN1PKLRPGAM1FTO | |
| Potassium Ion SCHEMBL3400358 | 0.80 | PTGS2 (0.48) | PTGS2PTPN1PKLRPGAM1AKR1B1 | |
| Lithium Ion SCHEMBL3173871 | 0.80 | PTGS2 (0.48) | PTGS2PTPN1PKLRPGAM1AKR1B1 |
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-108493419-B | Temperature-sensitive composite electrode and preparation method thereof | 武汉大学 | 2021-02-19 | — | — | CN | disclosed |