Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.69 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.69 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24318549 | 0.84 | CYP2A6 (0.66) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL29590048 | 0.82 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL158705 | 0.82 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| Benzene SCHEMBL27761468 | 0.79 | PTGS2 (0.47) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL7802382 | 0.79 | PTGS2 (0.47) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| Pyrazine SCHEMBL1086211 | 0.79 | CYP3A4 (0.46) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL12270316 | 0.77 | KCNH2 (0.41) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL19219088 | 0.76 | CYP2A6 (0.85) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL21295467 | 0.76 | PTGS2 (0.49) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL1487708 | 0.76 | PTGS2 (0.45) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752596-B | Bipyridine bithiophene blue fluorescent material | 宁波大学 | 2021-02-09 | — | — | CN | claimed |
| CN-108752596-B | Bipyridine bithiophene blue fluorescent material | 宁波大学 | 2021-02-09 | — | — | CN | disclosed |
| CN-108752596-B | Bipyridine bithiophene blue fluorescent material | 宁波大学 | 2021-02-09 | — | — | CN | disclosed |