Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 3/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL7554897 | 0.96 | F11 (0.40) | F11HSP90AA1NPSR1ALDH1A1L3MBTL1 | |
| SCHEMBL7549261 | 0.94 | TSHR (0.43) | ALDH1A1GSTM2TSHRUSP2CYP1A2 | |
| SCHEMBL6308214 | 0.94 | F11 (0.49) | F11HSP90AA1NPSR1ALDH1A1L3MBTL1 | |
| SCHEMBL6307819 | 0.89 | EGFR (0.42) | F11ALDH1A1TSHRUSP2CYP1A2 | |
| SCHEMBL6308119 | 0.87 | F11 (0.52) | F11HSP90AA1NPSR1ALDH1A1TSHR | |
| SCHEMBL6307789 | 0.86 | USP2 (0.49) | F11ALDH1A1GSTM2TSHRUSP2 | |
| SCHEMBL7554022 | 0.83 | F11 (0.50) | F11HSP90AA1NPSR1TDP1CYP1A2 | |
| SCHEMBL6313772 | 0.83 | F11 (0.49) | F11ALDH1A1TSHRTDP1BRD4 | |
| SCHEMBL6307391 | 0.81 | F11 (0.55) | F11NPSR1ALDH1A1L3MBTL1BRD4 | |
| SCHEMBL6314098 | 0.81 | F11 (0.55) | F11NPSR1ALDH1A1BRD4USP2 |
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-6890930-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| EP-1216235-A1 | QUINAZOLINONES | MERCK PATENT GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023365-A1 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |