Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL647283 | 0.93 | HSP90AA1 (0.39) | HSP90AA1KDM4EHSP90AB1ADRA1DADRA1A | |
| SCHEMBL644884 | 0.92 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1ADRA1DADRA1AADRA1B | |
| SCHEMBL648073 | 0.92 | HSP90AA1 (0.46) | HSP90AA1KDM4EHSP90AB1SCN9AMAOA | |
| SCHEMBL645400 | 0.89 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1MAOAMAOBCASP3 | |
| SCHEMBL645378 | 0.89 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1MAOAMAOBCASP3 | |
| SCHEMBL10179897 | 0.88 | HSP90AA1 (0.49) | HSP90AA1KDM4EHSP90AB1DRD2HTR7 | |
| SCHEMBL644635 | 0.86 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1MAOAMAOBCASP3 | |
| SCHEMBL645743 | 0.86 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1MAOAMAOBCASP3 | |
| SCHEMBL645488 | 0.85 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1 | |
| SCHEMBL644353 | 0.85 | HSP90AA1 (0.41) | HSP90AA1KDM4EHSP90AB1ADRA1AHTR1B |
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 2 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 |
| EP-2023922-B1 | TRIAZOLE DERIVATIVES II | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |