Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isonicotinic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 11/20 | 0.54 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.54 |
| ▸ | CA1 known ✓ | P00915 | 10/20 | 0.52 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Isonicotinic Acid SCHEMBL5858849 | 0.97 | CA2 (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25273296 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL11323095 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL3705303 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25273196 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25261209 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25270921 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25269382 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25273147 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 | |
| Isonicotinic Acid SCHEMBL25271513 | 0.92 | NAPRT (0.56) | CA2NAPRTCA4CA1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11124385-A | — | — | None | — | — | JP | disclosed |
| EP-0894801-B1 | Water soluble substituted pyridine boranes | BAYER AG (DE) | 2002-05-08 | — | — | EP | disclosed |
| JP-H11124385-A | WATER-SOLUBLE SUBSTITUTED PYRIDINE-BORANE | BAYER AG | 1999-05-11 | — | — | JP | disclosed |
| EP-0894801-A2 | Water soluble substituted pyridine boranes | BAYER AG (DE) | 1999-02-03 | — | — | EP | disclosed |