Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15099531 | 0.97 | HSP90AA1 (0.47) | HSP90AA1TDP1HSP90AB1CXCR3KLK7 | |
| SCHEMBL902209 | 0.93 | HSP90AA1 (0.54) | HSP90AA1TDP1HSP90AB1CXCR3KLK7 | |
| SCHEMBL901739 | 0.93 | HSP90AA1 (0.56) | HSP90AA1TDP1HSP90AB1CXCR3KLK7 | |
| SCHEMBL17416333 | 0.91 | HSP90AA1 (0.54) | HSP90AA1TDP1HSP90AB1KLK7KLK5 | |
| SCHEMBL902136 | 0.89 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL904245 | 0.86 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1 | |
| SCHEMBL901501 | 0.85 | HSP90AA1 (0.53) | HSP90AA1TDP1HSP90AB1CXCR3 | |
| SCHEMBL902223 | 0.83 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1 | |
| SCHEMBL901819 | 0.82 | HSP90AA1 (0.57) | HSP90AA1TDP1HSP90AB1 | |
| SCHEMBL902122 | 0.82 | HSP90AA1 (0.55) | HSP90AA1TDP1HSP90AB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621919-A1 | PHENYLQUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | claimed |
| WO-2012041435-A1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | claimed |
| US-8791129-B2 | Phenylquinazoline derivatives | MERCK PATENT GMBH (DE) | 2014-07-29 | — | — | US | disclosed |
| EP-2621919-A1 | PHENYLQUINAZOLINE DERIVATIVES | Merck Patent GmbH (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041435-A1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |
| WO-2012041435-A1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2012-04-05 | — | — | WO | disclosed |