Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | IDH2 | P48735 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.41 |
| ▸ | MTOR | P42345 | 3/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HCK | P08631 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5748450 | 0.99 | HTR1B (0.54) | HTR1BHTR2BGPR65DHFRAURKA | |
| SCHEMBL5748112 | 0.82 | DHFR (0.56) | DHFRAURKAPDPK1TGFBR1AURKB | |
| SCHEMBL5750217 | 0.81 | HTR1B (0.51) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL15757462 | 0.80 | HSP90AA1 (0.55) | DHFRPIK3CDPIK3CBPIK3CGADORA2A | |
| SCHEMBL5747652 | 0.79 | HTR1B (0.70) | HTR1BHTR2BGPR65DHFRAURKA | |
| SCHEMBL5749633 | 0.79 | DHFR (0.50) | DHFRPIK3CDPIK3CBPIK3CGADORA2A | |
| SCHEMBL15757455 | 0.79 | NUDT1 (0.58) | DHFRAURKAPDPK1TGFBR1AURKB | |
| SCHEMBL5749142 | 0.77 | HTR1B (0.84) | HTR1BHTR2BGPR65DHFRAURKA | |
| Hydrochloric Acid SCHEMBL5749179 | 0.75 | DHFR (0.46) | DHFRPIK3CDPIK3CBPIK3CGADORA2A | |
| SCHEMBL5748832 | 0.74 | DHFR (0.46) | DHFRPIK3CDPIK3CBPIK3CGADORA2A |
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 8 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 | 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 |