Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.52 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016400 | 0.88 | TACR1 (0.54) | TACR1P2RX1TMPRSS4CNR2 | |
| SCHEMBL6016431 | 0.86 | TACR1 (0.63) | TACR1 | |
| SCHEMBL6862802 | 0.80 | TACR1 (0.61) | TACR1P2RX1TMPRSS4MLYCD | |
| SCHEMBL6869366 | 0.78 | MLYCD (0.49) | TACR1P2RX1TMPRSS4MLYCD | |
| SCHEMBL6016462 | 0.74 | CETP (0.43) | TACR1CNR2 | |
| SCHEMBL6016340 | 0.72 | NTRK1 (0.44) | — | |
| SCHEMBL6868605 | 0.71 | TACR1 (0.67) | TACR1P2RX1TMPRSS4 | |
| SCHEMBL6868748 | 0.70 | TACR1 (0.60) | TACR1 | |
| SCHEMBL6866336 | 0.70 | CHRNB2 (0.68) | TACR1P2RX1TMPRSS4 | |
| SCHEMBL16088678 | 0.70 | P2RX1 (0.57) | TACR1P2RX1TMPRSS4MLYCD |
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 |