Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.44 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15757462 | 0.83 | HSP90AA1 (0.55) | DHFRHSP90AA1HSP90AB1ROCK1ADORA2A | |
| SCHEMBL5749633 | 0.82 | DHFR (0.50) | DHFRADORA2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL5746715 | 0.82 | HTR1B (0.55) | DHFRAURKAPDPK1TGFBR1AURKB | |
| SCHEMBL15757455 | 0.82 | NUDT1 (0.58) | DHFRAURKAPDPK1TGFBR1ROCK1 | |
| Hydrochloric Acid SCHEMBL5748450 | 0.81 | HTR1B (0.54) | DHFRAURKAPDPK1TGFBR1AURKB | |
| SCHEMBL20620221 | 0.81 | CLK1 (0.61) | DHFRHSP90AA1HSP90AB1AURKAPDPK1 | |
| Hydrochloric Acid SCHEMBL5749179 | 0.79 | DHFR (0.46) | DHFRADORA2APIK3CDPIK3CBPIK3CG | |
| SCHEMBL5748832 | 0.78 | DHFR (0.46) | DHFRADORA2APIK3CDPIK3CAPIK3CB | |
| SCHEMBL5746670 | 0.77 | HSP90AA1 (0.60) | DHFRHSP90AA1HSP90AB1AURKAPDPK1 | |
| SCHEMBL3615777 | 0.77 | GSK3B (0.67) | PDPK1PIK3CD |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | claimed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | claimed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | claimed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | claimed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | claimed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | claimed |
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| US-5958934-A | 5-HT 2B ANTAGONIST | SYNTEX (U.S.A.) INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952331-A | SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER | SYNTEX (USA) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |