Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.50 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| Iodomethane SCHEMBL6016471 | 0.97 | KDM4E (0.52) | KDM4EALDH1A1HPGDNTRK1NTRK3 | |
| SCHEMBL6016353 | 0.82 | THRB (0.49) | KDM4EALDH1A1HPGDNTRK1KMT2A | |
| SCHEMBL6016311 | 0.81 | KDM4E (0.47) | KDM4EALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL1016143 | 0.81 | KMT2A (0.58) | ALDH1A1HPGDNTRK1KMT2AMEN1 | |
| SCHEMBL6016340 | 0.81 | NTRK1 (0.44) | KDM4EALDH1A1NTRK1NTRK3KMT2A | |
| SCHEMBL6016408 | 0.79 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDNTRK1MYC | |
| SCHEMBL31167707 | 0.79 | ALDH1A1 (0.46) | KDM4EALDH1A1HPGDNTRK1MYC | |
| SCHEMBL400143 | 0.79 | NTRK1 (0.60) | ALDH1A1HPGDNTRK1NTRK3KMT2A | |
| SCHEMBL25309730 | 0.78 | NTRK1 (0.41) | KDM4EALDH1A1HPGDNTRK1NTRK3 | |
| SCHEMBL31019032 | 0.78 | NTRK1 (0.41) | KDM4EALDH1A1HPGDNTRK1NTRK3 |
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 |