Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.36 |
| ▸ | GHSR | Q92847 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7486076 | 0.91 | CYP2D6 (0.40) | ALDH1A1KDM4EADORA1SMN1; SMN2MEN1 | |
| SCHEMBL5877351 | 0.90 | AVPR1B (0.40) | ALDH1A1ADORA1MEN1LMNAHPGD | |
| SCHEMBL5877833 | 0.89 | ABCC1 (0.45) | ALDH1A1KDM4EADORA1SMN1; SMN2MEN1 | |
| SCHEMBL7486775 | 0.85 | EGFR (0.41) | ALDH1A1KDM4EADORA1SMN1; SMN2MEN1 | |
| SCHEMBL5877626 | 0.81 | ABCC1 (0.52) | ALDH1A1SMN1; SMN2MEN1KMT2AABCC1 | |
| SCHEMBL5877811 | 0.81 | ABCC1 (0.46) | KMT2AABCC1AVPR1BGHSRCYP2D6 | |
| SCHEMBL5876953 | 0.80 | ABCC1 (0.50) | ALDH1A1SMN1; SMN2MEN1KMT2AABCC1 | |
| SCHEMBL5877936 | 0.80 | CRHR1 (0.41) | LMNAGHSRCYP2D6CYP3A4KCNH2 | |
| SCHEMBL6309533 | 0.80 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2MEN1LMNA | |
| SCHEMBL5877732 | 0.80 | ABCC1 (0.52) | ALDH1A1MEN1KMT2AABCC1AVPR1B |
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 |