Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14917059 | 0.73 | PLAU (0.54) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 | |
| SCHEMBL14927124 | 0.73 | PLAU (0.54) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 | |
| SCHEMBL31329844 | 0.73 | CYP2C9 (0.34) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 | |
| SCHEMBL24387226 | 0.70 | PLAU (0.54) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 | |
| SCHEMBL31330161 | 0.70 | ALDH1A1 (0.35) | CYP2C9CYP2D6ALDH1A1MAPK1 | |
| SCHEMBL20630674 | 0.70 | — | — | |
| SCHEMBL12171075 | 0.69 | CYP2C9 (0.35) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 | |
| SCHEMBL31329947 | 0.68 | CYP2C9 (0.39) | CYP2C9CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL2402241 | 0.68 | ABL1 (0.37) | ALDH1A1MAPK1ABL1BCR | |
| SCHEMBL14119902 | 0.67 | CYP2C9 (0.33) | CYP2C9CYP2D6CYP1A2CYP19A1CYP2C19 |
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-110734436-A | Pyrimidine or pyrazine ring compounds and application thereof | 上海青煜医药科技有限公司 | 2020-01-31 | — | — | CN | disclosed |