Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 7/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28030161 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9522386 | 0.75 | CYP1A2 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL6141180 | 0.74 | KMT2A (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL7560816 | 0.74 | CYP1A2 (0.53) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL8192197 | 0.74 | CYP3A4 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL30270572 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL25920538 | 0.73 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL27832682 | 0.71 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL27711846 | 0.71 | CYP1A2 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL13805938 | 0.70 | CYP3A4 (0.51) | CYP3A4CYP1A2CYP2D6CYP2C19TDP1 |
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-111875585-B | Kinase inhibitors | 上海艾力斯医药科技股份有限公司 | 2023-06-23 | — | — | CN | disclosed |