Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 7/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | PDE1A | P54750 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5877934 | 0.88 | GHSR (0.41) | GHSRPDE1APDE1BPDE1C | |
| SCHEMBL5877634 | 0.86 | CASR (0.45) | CYP3A4DPP4GHSRPDE1APDE1B | |
| SCHEMBL5877140 | 0.85 | ALDH1A1 (0.46) | ALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL5877978 | 0.84 | AVPR1B (0.49) | GHSR | |
| SCHEMBL5877069 | 0.83 | F11 (0.49) | CYP3A4GHSR | |
| SCHEMBL5877494 | 0.82 | GHSR (0.60) | ADORA3CYP3A4DPP4GHSRCYP1A2 | |
| SCHEMBL5878284 | 0.81 | EGFR (0.45) | CYP3A4DPP4PDE1APDE1BPDE1C | |
| SCHEMBL5876981 | 0.81 | F11 (0.52) | GHSRALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5877542 | 0.81 | F11 (0.46) | CYP3A4DPP4GHSR | |
| SCHEMBL5877473 | 0.81 | CYP2D6 (0.46) | ADORA3CYP3A4DPP4GHSRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060706-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1216233-A1 | QUINAZOLINONES | MERCK PATENT GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023364-A1 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |