Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.42 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | 0.84 | MYC (0.44) | KDM4EALDH1A1KMT2AMCL1NPC1 | |
| SCHEMBL6016644 | 0.84 | SERPINE1 (0.39) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6016592 | 0.83 | NPC1 (0.45) | KDM4EHPGDACMSDNPC1RAB9A | |
| SCHEMBL6016525 | 0.83 | KMT2A (0.38) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6016411 | 0.83 | L3MBTL1 (0.50) | ALDH1A1KMT2ANPC1TP53GAA | |
| SCHEMBL6016460 | 0.81 | KDM4E (0.55) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6016467 | 0.81 | PDE4B (0.46) | KDM4EALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL6016298 | 0.81 | MEN1 (0.47) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6870676 | 0.81 | MAPT (0.42) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Iodomethane SCHEMBL6016471 | 0.79 | KDM4E (0.52) | KDM4EALDH1A1HPGDMEN1KMT2A |
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 |