Known targets — ChEMBL curated mechanism
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 7/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 SCHEMBL17375272 | 0.85 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25269382 | 0.85 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25273196 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL5858849 | 0.81 | CA2 (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL11323095 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25273147 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25271513 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25273296 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25270921 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 | |
| Isonicotinic Acid SCHEMBL25261209 | 0.81 | NAPRT (0.56) | NAPRTALDH1A1MEN1KMT2ACA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120202153-A1 | RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-08-09 | — | — | US | disclosed |