Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 1/20 | 0.53 |
| ▸ | GHSR | Q92847 | 9/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 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 | |
|---|---|---|---|---|
| SCHEMBL5877867 | 0.90 | GHSR (0.54) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5877881 | 0.89 | ABCC1 (0.53) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5878205 | 0.88 | CYP2D6 (0.61) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5877615 | 0.88 | CYP2D6 (0.55) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5877050 | 0.87 | ABCC1 (0.62) | ABCC1CYP2D6TSHRALDH1A1NPSR1 | |
| SCHEMBL5877494 | 0.86 | GHSR (0.60) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5878400 | 0.86 | ABCC1 (0.45) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5878320 | 0.85 | ABCC1 (0.62) | ABCC1CYP2D6TSHRALDH1A1NPSR1 | |
| SCHEMBL5878659 | 0.82 | ABCC1 (0.46) | ABCC1GHSRCYP2D6HTR2CKCNH2 | |
| SCHEMBL5878390 | 0.82 | ABCC1 (0.59) | ABCC1CYP2D6TSHRALDH1A1NPSR1 |
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 |