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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.53 |
| ▸ | APP | P05067 | 4/20 | 0.59 |
| ▸ | MAOB | P27338 | 5/20 | 0.59 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 3/20 | 0.56 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.56 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.53 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL314468 | 0.96 | APP (0.63) | APPMAOBNR4A2BCHECYP4F2 | |
| Formaldehyde SCHEMBL27783224 | 0.91 | NR4A2 (0.61) | APPMAOBNR4A2BCHECYP4F2 | |
| SCHEMBL5708184 | 0.89 | APP (0.59) | APPMAOBBCHECYP4F2CYP4A11 | |
| SCHEMBL3916599 | 0.85 | APP (0.63) | APPMAOBBCHECYP4F2CYP4A11 | |
| SCHEMBL30674750 | 0.85 | APP (0.63) | APPMAOBBCHECYP4F2CYP4A11 | |
| SCHEMBL32665169 | 0.85 | APP (0.59) | APPMAOBNR4A2MAOAALOX5 | |
| SCHEMBL5708187 | 0.84 | APP (0.61) | APPMAOBBCHECYP4F2CYP4A11 | |
| SCHEMBL1268719 | 0.82 | MAOB (0.81) | MAOBNR4A2BCHECYP4F2CYP4A11 | |
| SCHEMBL9221966 | 0.81 | APP (0.62) | APPMAOBNR4A2BCHECYP4F2 | |
| SCHEMBL13452238 | 0.81 | APP (0.54) | APPMAOBNR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1706386-A1 | BICYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2006-10-04 | — | — | EP | disclosed |
| WO-2005066136-A1 | BICYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |