Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | MAPK7 | Q13164 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.38 |
| ▸ | CASP1 | P29466 | 4/20 | 0.38 |
| ▸ | CASP7 | P55210 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016413 | 0.94 | TACR1 (0.43) | TACR1ALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL6016520 | 0.92 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP3A4TSHRCYP1A2 | |
| Piperazine SCHEMBL6016518 | 0.91 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP3A4TSHRCYP1A2 | |
| Methylpiperazine SCHEMBL6016447 | 0.90 | TACR1 (0.46) | TACR1ALDH1A1HSD17B10CYP3A4TSHR | |
| Methylpiperazine SCHEMBL6016601 | 0.86 | HRH4 (0.44) | TACR1ALDH1A1HSD17B10CYP3A4TSHR | |
| Morpholine SCHEMBL6016412 | 0.85 | PRKAB2 (0.49) | ALDH1A1HSD17B10CYP3A4TSHRCYP1A2 | |
| Methylpiperazine SCHEMBL6016623 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4TSHRCYP1A2 | |
| SCHEMBL4130912 | 0.84 | TACR1 (0.50) | TACR1ALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL4119980 | 0.83 | ALDH1A1 (0.42) | TACR1ALDH1A1HSD17B10CYP3A4TSHR | |
| Methylpiperazine SCHEMBL6016376 | 0.82 | TSHR (0.46) | TACR1ALDH1A1HSD17B10CYP3A4TSHR |
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 |