Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 3-Methylpyridine SCHEMBL7852996 | 0.92 | NAPRT (0.52) | CYP2A6CYP3A4NAPRTALDH1A1POLB | |
| 3-Methylpyridine SCHEMBL407437 | 0.87 | NAPRT (0.55) | CYP2A6CYP3A4NAPRTALDH1A1POLB | |
| 3-Methylpyridine SCHEMBL29361018 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL10530 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL820155 | 0.86 | CYP2A6 (0.54) | CYP2A6CYP3A4ALDH1A1TP53CYP1A2 | |
| 3-Methylpyridine SCHEMBL27972309 | 0.84 | CYP2A6 (0.50) | CYP2A6CYP3A4ALDH1A1CYP1A2KMT2A | |
| 3-Methylpyridine SCHEMBL9178021 | 0.84 | — | — | |
| 3-Methylpyridine SCHEMBL9421238 | 0.84 | — | — | |
| 3-Methylpyridine SCHEMBL8308038 | 0.84 | CYP2A6 (0.52) | CYP2A6CYP3A4ALDH1A1TP53CYP1A2 | |
| 3-Methylpyridine SCHEMBL990915 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1064965-C | Novel sulfonamides compound and its use as medicine | HOFFMANN LA ROCHE (CH) | 2001-04-25 | — | — | CN | disclosed |
| CN-1132751-A | Novel sulfonamides compound and its use as medicine | HOFFMANN LA ROCHE (CH) | 1996-10-09 | — | — | CN | disclosed |