Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29078982 | 0.87 | ADH1B (0.47) | CYP2D6CYP3A4CYP2C9CYP2C19ADH1B | |
| SCHEMBL56125 | 0.71 | ADH1B (0.50) | KIF11CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14141435 | 0.71 | TAAR1 (0.52) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL29078984 | 0.71 | ADH1B (0.40) | KIF11CYP2D6CYP2C9CYP2C19ADH1B | |
| M-Xylene SCHEMBL28049985 | 0.70 | ACHE (0.44) | CYP2D6CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL4454569 | 0.70 | TAAR1 (0.44) | CYP2C19ADH1BADH1CADH1AADH7 | |
| SCHEMBL18773845 | 0.69 | RXFP1 (0.42) | ADH1BADH1CADH1AADH7KDM4E | |
| SCHEMBL14297778 | 0.68 | KIF11 (0.46) | KIF11CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3306896 | 0.68 | ADH1B (0.59) | CYP2D6CYP3A4CYP2C19ADH1BADH1C | |
| SCHEMBL15120056 | 0.67 | KIF11 (0.51) | KIF11CYP2D6CYP3A4CYP2C9CYP2C19 |
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-116396218-A | Synthesis method of benzazepine compound | 南京师范大学 | 2023-07-07 | — | — | CN | disclosed |