Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.58 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL644502 | 0.89 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1KMT2A | |
| SCHEMBL10170490 | 0.87 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1KMT2A | |
| SCHEMBL10170484 | 0.86 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1KMT2APDK1 | |
| SCHEMBL645220 | 0.86 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1KMT2APDK1 | |
| SCHEMBL10170483 | 0.85 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1GAAHPGDKMT2A | |
| SCHEMBL644590 | 0.85 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1HPGDHSD17B2PDK1 | |
| SCHEMBL645474 | 0.84 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1KMT2APDK1 | |
| SCHEMBL645310 | 0.84 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1 | |
| SCHEMBL646626 | 0.83 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1KMT2A | |
| SCHEMBL647220 | 0.82 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2023922-B1 | TRIAZOLE DERIVATIVES II | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | claimed |
| US-8119795-B2 | Triazole derivatives II | MERCK PATENT GMBH (DE) | 2012-02-21 | — | — | US | claimed |
| EP-2023922-B1 | TRIAZOLE DERIVATIVES II | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |