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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.41 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 5/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8475084 | 0.86 | CYP19A1 (0.39) | MMP2CYP19A1CA1CA2CA9 | |
| SCHEMBL1368311 | 0.82 | TAAR1 (0.50) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL30019965 | 0.82 | TAAR1 (0.50) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL10296023 | 0.80 | TAAR1 (0.48) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL2935743 | 0.78 | TAAR1 (0.47) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL514257 | 0.78 | MMP2 (0.48) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL30515516 | 0.78 | MMP2 (0.48) | TAAR1EGFRERBB2IDO1AGXT | |
| Hydrochloric Acid SCHEMBL27989720 | 0.78 | IDO1 (0.48) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL1118907 | 0.78 | CA1 (0.57) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL514256 | 0.78 | TAAR1 (0.47) | TAAR1EGFRERBB2IDO1AGXT |
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-2229377-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | Wyeth LLC (US) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009076602-A1 | 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS | WYETH (US) | 2009-06-18 | — | — | WO | disclosed |