Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | VDR | P11473 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016677 | 0.91 | L3MBTL1 (0.41) | EGFRMEN1RAB9AKMT2ANPC1 | |
| SCHEMBL6016449 | 0.90 | GPBAR1 (0.38) | MEN1RAB9AKMT2ANPC1TLR9 | |
| SCHEMBL6016523 | 0.90 | DHODH (0.39) | MEN1RAB9AKMT2ANPC1TLR9 | |
| SCHEMBL6016644 | 0.89 | SERPINE1 (0.39) | EGFRPDE4BMEN1RAB9AKMT2A | |
| SCHEMBL6016416 | 0.89 | MAPT (0.36) | EGFRPDE4BMEN1RAB9AKMT2A | |
| SCHEMBL6871114 | 0.86 | CYP1A2 (0.40) | EGFRPDE4BMEN1RAB9AKMT2A | |
| SCHEMBL6870471 | 0.86 | NPC1 (0.43) | MEN1RAB9AKMT2ANPC1TLR9 | |
| SCHEMBL6016454 | 0.85 | TP53 (0.36) | MEN1RAB9AKMT2ANPC1TLR9 | |
| SCHEMBL6016578 | 0.85 | TP53 (0.38) | MEN1RAB9AKMT2ANPC1TLR9 | |
| SCHEMBL6016467 | 0.85 | PDE4B (0.46) | PDE4BPPARDKDM4EMITFLMNA |
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 |