Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21857550 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL31505978 | 0.81 | CYP1A2 (0.63) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL31530964 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL31530982 | 0.77 | CYP19A1 (0.46) | CYP3A4ALDH1A1CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL30816550 | 0.77 | AURKA (0.38) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL30968318 | 0.77 | NOS3 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL21223617 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL31530995 | 0.76 | NUDT1 (0.40) | CYP1A2CYP17A1CYP11B2 | |
| SCHEMBL31530991 | 0.76 | NUDT1 (0.40) | CYP1A2CYP17A1CYP11B2 | |
| SCHEMBL10509342 | 0.76 | LATS1 (0.40) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 |
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-119912478-A | Amino heteroaryl macrocyclic compounds, preparation method and application thereof | 北京鞍石生物科技股份有限公司 | 2025-05-02 | — | — | CN | disclosed |