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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.33 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.33 |
| ▸ | ALOX5AP known ✓ | P20292 | 1/20 | 0.33 |
| ▸ | HMGCR known ✓ | P04035 | 1/20 | 0.32 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 10/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | FBP1 | P09467 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 6/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8924711 | 0.67 | PPARA (0.41) | CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL8924173 | 0.67 | PPARA (0.39) | FBP1 | |
| SCHEMBL8924670 | 0.67 | FBP1 (0.33) | CYP1A2FBP1 | |
| Tert-Butylamine SCHEMBL8924413 | 0.67 | PPARA (0.45) | CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL4595779 | 0.66 | VCAM1 (0.47) | CYP1A2CYP2D6CA1CA2HMGCR | |
| Clofibric Acid SCHEMBL11639907 | 0.64 | PPARA (0.68) | CNR1CYP1A2CYP2D6ALOX15MEN1 | |
| SCHEMBL284104 | 0.64 | HMGCR (0.53) | CYP1A2CYP2D6CA1CA2HMGCR | |
| SCHEMBL8859110 | 0.64 | VCAM1 (0.41) | CYP1A2CYP2D6CA1CA2HMGCR | |
| SCHEMBL8747574 | 0.63 | CA2 (0.42) | CYP1A2CYP2D6CA1CA2HMGCR | |
| SCHEMBL25790214 | 0.63 | MEN1 (0.41) | CYP1A2CYP2D6MEN1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5627205-A | ANTILIPEMIC AGENTS AND ANTIOXIDANTS | ADIR ET COMPAGNIE (FR) | 1997-05-06 | — | — | US | disclosed |
| US-5512595-A | FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS | ADIR ET COMPAGNIE (FR) | 1996-04-30 | — | — | US | disclosed |