Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 11/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016452 | 0.85 | MYC (0.44) | NPC1RAB9ADHODHSLC9A1CSNK2A2 | |
| SCHEMBL6016411 | 0.84 | L3MBTL1 (0.50) | NPC1RAB9ADHODHPTGS2PKM | |
| SCHEMBL6016525 | 0.84 | KMT2A (0.38) | NPC1RAB9APKMHPGDHTT | |
| SCHEMBL6016523 | 0.84 | DHODH (0.39) | NPC1RAB9ADHODHPTGS2HPGD | |
| SCHEMBL6016311 | 0.83 | KDM4E (0.47) | NPC1RAB9AACMSDHPGDKDM4E | |
| SCHEMBL6016467 | 0.82 | PDE4B (0.46) | DHODHSLC9A1HPGDHTTKDM4E | |
| SCHEMBL6016298 | 0.82 | MEN1 (0.47) | DHODHHPGDKDM4EPOLB | |
| SCHEMBL6016490 | 0.80 | BRD4 (0.41) | DHODHPTGS2 | |
| SCHEMBL6016317 | 0.78 | PDE4B (0.44) | RAB9APTGS2KDM4E | |
| SCHEMBL29058641 | 0.78 | NPC1 (0.52) | NPC1RAB9ADHODHACMSDCSNK2A2 |
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 |