Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.51 |
| ▸ | TACR3 | P29371 | 8/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016365 | 0.88 | TACR1 (0.63) | TACR1TACR3CYP3A4 | |
| SCHEMBL6882076 | 0.84 | TACR1 (0.55) | TACR1TACR3CYP3A4 | |
| SCHEMBL6871218 | 0.83 | TACR1 (0.46) | TACR1TACR3CYP3A4 | |
| SCHEMBL5802838 | 0.82 | TACR1 (0.49) | TACR1TACR3 | |
| SCHEMBL6664695 | 0.81 | TACR1 (0.47) | TACR1TACR3CYP3A4 | |
| SCHEMBL6876208 | 0.81 | TACR1 (0.44) | TACR1TACR3CYP3A4 | |
| SCHEMBL6881887 | 0.80 | TACR1 (0.47) | TACR1TACR3 | |
| SCHEMBL6664699 | 0.79 | TACR1 (0.57) | TACR1TACR3CYP3A4 | |
| SCHEMBL7760176 | 0.76 | TACR1 (0.78) | TACR1TACR3CYP3A4 | |
| SCHEMBL6019565 | 0.73 | TACR1 (0.49) | 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 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 | disclosed |