Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.46 |
| ▸ | TACR3 | P29371 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016354 | 0.87 | TACR1 (0.62) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL6868922 | 0.83 | TACR1 (0.63) | TACR1CYP3A4TACR3 | |
| SCHEMBL5800471 | 0.81 | TACR1 (0.49) | TACR1CYP3A4TACR3 | |
| SCHEMBL6870408 | 0.81 | TACR1 (0.67) | TACR1CYP3A4GPBAR1 | |
| SCHEMBL6869455 | 0.80 | TACR1 (0.66) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL5803616 | 0.77 | TACR1 (0.48) | TACR1CYP3A4TACR3 | |
| SCHEMBL6870660 | 0.77 | TACR1 (0.52) | TACR1GPBAR1 | |
| SCHEMBL4129439 | 0.76 | TACR1 (1.00) | TACR1CYP3A4TACR3 | |
| SCHEMBL4130115 | 0.76 | TACR1 (0.82) | TACR1CYP3A4GPBAR1TACR3 | |
| SCHEMBL4125582 | 0.76 | TACR1 (0.82) | TACR1CYP3A4GPBAR1TACR3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | claimed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | claimed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | claimed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | claimed |
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |