Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.41 |
| ▸ | F3 | P13726 | 1/20 | 0.41 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.41 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
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 SCHEMBL27972309 | 0.89 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP1A2ALDH1A1NPC1 | |
| 3-Methylpyridine SCHEMBL28152943 | 0.87 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP1A2ALDH1A1NPC1 | |
| 3-Methylpyridine SCHEMBL22973718 | 0.87 | CYP2A6 (0.48) | CYP2A6CYP3A4CYP1A2ALDH1A1F7 | |
| 3-Methylpyridine SCHEMBL27456676 | 0.87 | CYP2A6 (0.48) | CYP2A6CYP3A4CYP1A2ALDH1A1F7 | |
| 3-Methylpyridine SCHEMBL10697185 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL21244133 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL10530 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL820155 | 0.86 | CYP2A6 (0.54) | CYP2A6CYP3A4CYP1A2ALDH1A1NPC1 | |
| 3-Methylpyridine SCHEMBL29361018 | 0.86 | — | — | |
| 3-Methylpyridine SCHEMBL27889934 | 0.85 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP1A2ALDH1A1F7 |
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-103415525-B | Bromine domain inhibitor and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-05-18 | — | — | CN | disclosed |
| CN-103415525-A | Bromodomain inhibitors and uses thereof | CONSTELLATION PHARMACEUTICALS INC | 2013-11-27 | — | — | CN | disclosed |