Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.61 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | GHSR | Q92847 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CTSD | P07339 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878123 | 0.98 | EGFR (0.64) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5878230 | 0.93 | CYP2D6 (0.52) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5878103 | 0.91 | EGFR (0.54) | EGFRABCC1CYP3A4SMN1; SMN2LMNA | |
| SCHEMBL5877585 | 0.91 | EGFR (0.52) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5878470 | 0.91 | EGFR (0.53) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5877278 | 0.91 | EGFR (0.52) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5877583 | 0.90 | EGFR (0.53) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5878320 | 0.89 | ABCC1 (0.62) | EGFRABCC1CYP2D6ALDH1A1SMN1; SMN2 | |
| SCHEMBL5877256 | 0.88 | EGFR (0.48) | EGFRABCC1CYP2D6HTR2CGHSR | |
| SCHEMBL5877608 | 0.88 | EGFR (0.48) | EGFRABCC1CYP2D6HTR2CGHSR |
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 |