Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 12/20 | 0.55 |
| ▸ | CASP7 | P55210 | 12/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 9/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.55 |
| ▸ | GLA | P06280 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 9/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016519 | 0.89 | PTPN11 (0.57) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| SCHEMBL4112958 | 0.85 | ALDH1A1 (0.53) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| SCHEMBL4112334 | 0.85 | ALDH1A1 (0.54) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| Piperazine SCHEMBL6016590 | 0.84 | ALDH1A1 (0.53) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| SCHEMBL4124843 | 0.83 | PIK3CA (0.49) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| SCHEMBL10327665 | 0.82 | PIK3CA (0.56) | ALDH1A1POLBPIK3CAMTORPIK3CG | |
| SCHEMBL6016446 | 0.82 | PRKAB2 (0.52) | ALDH1A1TSHRKMT2APOLBABL1 | |
| SCHEMBL2948308 | 0.81 | PTPN11 (0.52) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| Methylpiperazine SCHEMBL6016623 | 0.80 | ALDH1A1 (0.48) | CASP1CASP7ALDH1A1CYP1A2HIF1A | |
| SCHEMBL6016338 | 0.78 | PTPN11 (0.43) | PTPN11 |
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 |