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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 1.00 |
| ▸ | PTGER1 | P34995 | 15/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 6/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 6/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 4/20 | 1.00 |
| ▸ | TBXA2R | P21731 | 2/20 | 1.00 |
| ▸ | PTGER3 | P43115 | 2/20 | 1.00 |
| ▸ | PTGER2 | P43116 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
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 | |
|---|---|---|---|---|
| SCHEMBL2954543 | 1.00 | PTGER1 (1.00) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2960250 | 0.95 | PTGER1 (1.00) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2960972 | 0.93 | PTGER1 (1.00) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2954094 | 0.93 | PTGER1 (0.86) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2953298 | 0.92 | PTGER1 (0.88) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2961738 | 0.92 | PTGER1 (0.84) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2952676 | 0.90 | PTGER1 (0.84) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2959040 | 0.89 | PTGER1 (1.00) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL3916093 | 0.89 | PTGER1 (0.79) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R | |
| SCHEMBL2953551 | 0.87 | PTGER1 (1.00) | PTGER1CYP1A2CYP2C9CYP2C19TBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| EP-3686188-B1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | KISSEI PHARMACEUTICAL (JP) | 2022-04-06 | — | — | EP | disclosed |