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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 2/20 | 0.58 |
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | PLA2G4B | P0C869 | 6/20 | 0.69 |
| ▸ | RARB | P10826 | 3/20 | 0.65 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL26983159 | 1.00 | TP53 (0.71) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| Silver SCHEMBL9664694 | 0.97 | TP53 (0.71) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| Silver SCHEMBL11321084 | 0.97 | TP53 (0.71) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL11052789 | 0.95 | TP53 (0.62) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| Silver SCHEMBL11423363 | 0.92 | RARB (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL30393067 | 0.88 | NPC1 (0.69) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| Cetrimonium SCHEMBL22396363 | 0.88 | TP53 (0.60) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL123686 | 0.86 | TP53 (0.57) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL15641623 | 0.85 | TP53 (0.56) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL533825 | 0.84 | TP53 (0.77) | TP53TSHRPLA2G4BRARBPLA2G4A |
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-108164411-B | Method for preparing p-heptyloxybenzoic acid based on microreactor | 苏州汶颢微流控技术股份有限公司 | 2021-03-02 | — | — | CN | disclosed |