Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.54 |
| ▸ | RAF1 | P04049 | 8/20 | 0.44 |
| ▸ | BRAF | P15056 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016610 | 0.91 | TACR1 (0.54) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6016461 | 0.91 | TACR1 (0.64) | TACR1RAF1BRAF | |
| SCHEMBL6016612 | 0.88 | TACR1 (0.54) | TACR1RAF1BRAF | |
| SCHEMBL6016693 | 0.86 | TACR1 (0.49) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6016502 | 0.85 | TACR1 (0.53) | TACR1RAF1BRAF | |
| SCHEMBL6016479 | 0.85 | TACR1 (0.53) | TACR1RAF1BRAF | |
| SCHEMBL6016561 | 0.85 | TACR1 (0.52) | TACR1RAF1BRAF | |
| SCHEMBL6016649 | 0.82 | TACR1 (0.77) | TACR1BRAF | |
| SCHEMBL6016476 | 0.81 | TACR1 (0.64) | TACR1 | |
| SCHEMBL6016547 | 0.81 | TACR1 (0.57) | TACR1CYP3A4CYP2D6CYP2C9 |
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-1187815-B1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-02-08 | — | — | EP | claimed |