Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | CCR4 | P51679 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | ATR | Q13535 | 5/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.39 |
| ▸ | MTOR | P42345 | 3/20 | 0.39 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.39 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.37 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.37 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748112 | 0.82 | DHFR (0.56) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| SCHEMBL15757462 | 0.80 | HSP90AA1 (0.55) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| SCHEMBL5749589 | 0.79 | DHFR (0.47) | DHFRHSD17B10 | |
| SCHEMBL15757455 | 0.79 | NUDT1 (0.58) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| SCHEMBL5746715 | 0.79 | HTR1B (0.55) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| Hydrochloric Acid SCHEMBL5748450 | 0.78 | HTR1B (0.54) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| Hydrochloric Acid SCHEMBL5749179 | 0.75 | DHFR (0.46) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| SCHEMBL5748832 | 0.74 | DHFR (0.46) | DHFRPIK3CDADORA2APIK3CBPIK3CG | |
| SCHEMBL3615777 | 0.73 | GSK3B (0.67) | PIK3CDCLK1GSK3BCDK5DYRK1A | |
| SCHEMBL15757167 | 0.73 | NUDT1 (0.60) | DHFRPIK3CDPIK3CBPIK3CGATR |
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 7 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 |
| 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 |
| 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 |
| 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 |