Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | DHFR | P00374 | 9/20 | 0.49 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | GHSR | Q92847 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14813234 | 0.86 | CYP1A2 (0.63) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL12377461 | 0.84 | CYP1A2 (0.74) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL6049470 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL8737810 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL14813163 | 0.77 | CYP1A2 (0.86) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL9999991 | 0.77 | CYP1A2 (0.82) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL7535203 | 0.75 | SMN1; SMN2 (0.47) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| Etoprine SCHEMBL3919 | 0.75 | DHFR (0.70) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL16275253 | 0.73 | REN (0.50) | DHFRRENGHSR | |
| SCHEMBL14813094 | 0.73 | CYP1A2 (0.49) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0839803-B1 | Substituted benzylurea derivatives and medicine containing the same | SS PHARMACEUTICAL CO (JP) | 2002-04-03 | — | — | EP | disclosed |