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 | 14/20 | 0.52 |
| ▸ | PTGS1 known ✓ | P23219 | 9/20 | 0.52 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.51 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.51 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.51 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.51 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.51 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.51 |
| ▸ | PTGES | O14684 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CA3 | P07451 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8202133 | 0.88 | CYP2C9 (0.58) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8286234 | 0.87 | CYP2C9 (0.59) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8235891 | 0.86 | CYP2C9 (0.78) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8194741 | 0.85 | PTGS2 (0.67) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8188353 | 0.84 | CYP2C9 (0.40) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| Potassium Ion SCHEMBL30364788 | 0.84 | CYP2C9 (0.78) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL4587724 | 0.84 | PTGS2 (0.64) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8187597 | 0.83 | CYP2C9 (0.60) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL7876663 | 0.83 | PTGS2 (0.74) | CYP2C9PTGS2PTGS1PDPK1PTGES | |
| SCHEMBL8187573 | 0.81 | PTGS2 (0.76) | CYP2C9PTGS2PTGS1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |