Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 20/20 | 0.61 |
| ▸ | TACR3 | P29371 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6868922 | 0.87 | TACR1 (0.63) | TACR1TACR3CYP3A4 | |
| SCHEMBL5802849 | 0.85 | TACR1 (0.47) | TACR1TACR3CYP3A4 | |
| SCHEMBL6016354 | 0.83 | TACR1 (0.62) | TACR1TACR3CYP3A4 | |
| SCHEMBL6016577 | 0.80 | TACR1 (0.67) | TACR1TACR3CYP3A4 | |
| SCHEMBL6016344 | 0.79 | TACR1 (0.66) | TACR1TACR3CYP3A4 | |
| SCHEMBL6866128 | 0.79 | TACR1 (0.58) | TACR1TACR3 | |
| SCHEMBL5800535 | 0.77 | TACR1 (0.44) | TACR1TACR3CYP3A4 | |
| SCHEMBL5758248 | 0.76 | TACR1 (0.82) | TACR1TACR3CYP3A4 | |
| SCHEMBL2142457 | 0.76 | TACR1 (1.00) | TACR1TACR3CYP3A4 | |
| SCHEMBL4134195 | 0.75 | TACR1 (0.83) | TACR1TACR3CYP3A4 |
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 4 patents. 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 | disclosed |
| EP-1187815-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |
| WO-2000073279-A1 | 4-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |