Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | KIF11 | P52732 | 3/20 | 0.56 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.54 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.54 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL22778182 | 0.90 | NPC1 (0.68) | NPC1KIF11S1PR1NPY5RDGAT1 | |
| SCHEMBL6552315 | 0.90 | NPC1 (0.68) | NPC1KIF11S1PR1NPY5RDGAT1 | |
| SCHEMBL29468037 | 0.90 | NPC1 (0.68) | NPC1KIF11S1PR1NPY5RDGAT1 | |
| SCHEMBL30909387 | 0.86 | CYP2A6 (0.65) | NPC1KIF11CYP3A4CYP2A6ALDH1A1 | |
| SCHEMBL23059904 | 0.85 | CYP3A4 (0.55) | NPC1CYP3A4 | |
| SCHEMBL23059903 | 0.85 | CYP3A4 (0.55) | NPC1CYP3A4 | |
| SCHEMBL20023688 | 0.83 | CYP2A6 (0.60) | NPC1KIF11CYP3A4CYP2A6ALDH1A1 | |
| SCHEMBL23059973 | 0.82 | S1PR1 (0.42) | NPC1KIF11S1PR1NPY5RDGAT1 | |
| SCHEMBL2262911 | 0.81 | CYP2A6 (0.58) | NPC1KIF11CYP3A4CYP2A6ALDH1A1 | |
| SCHEMBL16484496 | 0.81 | CYP2A6 (0.58) | NPC1KIF11CYP3A4CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021036683-A1 | AROMATIC AMINE COMPOUND, COATING LAYER MATERIAL AND LIGHT EMITTING ELEMENT | 东丽先端材料研究开发（中国）有限公司 | 2021-03-04 | — | — | WO | disclosed |