Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.49 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | ERN1 | O75460 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768496 | 0.82 | ALDH1A1 (0.44) | CYP2A6ALDH1A1NPC1RAB9A | |
| SCHEMBL27768528 | 0.81 | CYP2A6 (0.42) | CYP2A6CYP3A4CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL9445903 | 0.76 | CYP2A6 (0.51) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6193569 | 0.75 | DYRK1A (0.64) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL27768467 | 0.73 | MKNK1 (0.47) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL28501870 | 0.72 | CYP19A1 (0.51) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL29627569 | 0.72 | CYP19A1 (0.51) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL18004057 | 0.72 | ADORA3 (0.40) | ALDH1A1NPC1RAB9A | |
| SCHEMBL850645 | 0.72 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL23080998 | 0.72 | KIF11 (0.47) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 |
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-102850324-A | Indole compounds | MICROBIA INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |