Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15099538 | 0.93 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1 | |
| SCHEMBL902209 | 0.92 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1TDP1CXCR3 | |
| SCHEMBL17416333 | 0.91 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1TDP1 | |
| SCHEMBL901819 | 0.89 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1TDP1 | |
| SCHEMBL902021 | 0.87 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1 | |
| SCHEMBL901997 | 0.87 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TDP1 | |
| Hydrochloric Acid SCHEMBL901489 | 0.87 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1 | |
| SCHEMBL901461 | 0.85 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1TDP1CXCR3 | |
| SCHEMBL15099531 | 0.85 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1TDP1CXCR3 | |
| SCHEMBL901739 | 0.84 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1TDP1CXCR3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621919-B1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | EP | claimed |
| EP-2621919-B1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| EP-2621919-B1 | PHENYLQUINAZOLINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |
| 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 |