Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | KIF11 | P52732 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22778133 | 1.00 | CYP2A6 (0.68) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL196313 | 1.00 | CYP2A6 (0.68) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL29468035 | 1.00 | CYP2A6 (0.68) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL22137845 | 0.94 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL24534338 | 0.88 | CYP2A6 (0.88) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL29360677 | 0.88 | CYP2A6 (0.88) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL13907273 | 0.88 | CYP2A6 (0.88) | CYP2A6CYP1A2ALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL26556372 | 0.87 | CYP11B2 (0.69) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL23248728 | 0.87 | MKNK1 (0.53) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 | |
| SCHEMBL19417424 | 0.84 | NPC1 (0.50) | CYP2A6CYP1A2ALDH1A1CYP3A4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117586179-A | GPR183 antagonist and synthetic method and application thereof | 中国人民解放军海军特色医学中心 | 2024-02-23 | — | — | CN | disclosed |