Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.52 |
| ▸ | KLKB1 | P03952 | 5/20 | 0.48 |
| ▸ | KLK1 | P06870 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016419 | 0.89 | LMNA (0.55) | THRBRXFP1KLKB1KLK1MEN1 | |
| SCHEMBL6016379 | 0.86 | THRB (0.49) | THRBRXFP1KLKB1KLK1MEN1 | |
| SCHEMBL7709690 | 0.83 | LMNA (0.61) | THRBRXFP1MEN1HCRTR1KMT2A | |
| SCHEMBL6016431 | 0.79 | TACR1 (0.63) | THRBRXFP1TACR1 | |
| SCHEMBL6867090 | 0.77 | CHRNB2 (0.64) | KLKB1KLK1KMT2ALMNATACR1 | |
| SCHEMBL6872467 | 0.72 | THRB (0.46) | THRBRXFP1MEN1KMT2AMAPT | |
| SCHEMBL400143 | 0.69 | NTRK1 (0.60) | RXFP1MEN1KMT2AMAPTNTRK1 | |
| SCHEMBL6871367 | 0.68 | CHRNB2 (0.45) | KLKB1KMT2ALMNATACR1 | |
| SCHEMBL1966659 | 0.68 | KMO (0.43) | HCRTR1NTRK1LMNA | |
| SCHEMBL16220580 | 0.68 | NTRK1 (0.59) | MEN1KMT2AMAPTNTRK1HSD11B1 |
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 |