Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.48 |
| ▸ | JUN | P05412 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016584 | 0.89 | TACR1 (0.46) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016342 | 0.85 | TACR1 (0.47) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016840 | 0.83 | TACR1 (0.48) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016532 | 0.83 | TACR1 (0.45) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016363 | 0.79 | LMNA (0.46) | NTRK1 | |
| SCHEMBL6016482 | 0.78 | RXFP1 (0.55) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016506 | 0.78 | TACR1 (0.48) | TACR1JUNNFKB1NFKB2RELA | |
| SCHEMBL6016692 | 0.75 | TACR1 (0.46) | TACR1 | |
| SCHEMBL6016462 | 0.74 | CETP (0.43) | TACR1NTRK1GPBAR1 | |
| SCHEMBL6016647 | 0.74 | RXFP1 (0.44) | TACR1GPBAR1 |
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 |