Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | SCN4A | P35499 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.54 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.54 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.54 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | NUDT1 | P36639 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2490905 | 0.83 | HSP90AA1 (0.69) | CYP2D6MAPK1HTR2BPDE4DHSP90AA1 | |
| SCHEMBL29808150 | 0.83 | HSP90AA1 (0.69) | CYP2D6MAPK1HTR2BPDE4DHSP90AA1 | |
| SCHEMBL27907211 | 0.79 | HSP90AA1 (0.69) | CYP2D6MAPK1HTR2BPDE4DHSP90AA1 | |
| SCHEMBL9566567 | 0.77 | RAB9A (0.48) | HTR2BPDE4DHSP90AA1SMN1; SMN2PTPN1 | |
| SCHEMBL17046876 | 0.75 | SMN1; SMN2 (0.71) | HTR2BPDE4DHSP90AA1SMN1; SMN2HRH4 | |
| SCHEMBL30468191 | 0.75 | SMN1; SMN2 (0.71) | HTR2BPDE4DHSP90AA1SMN1; SMN2HRH4 | |
| SCHEMBL4281168 | 0.74 | HSP90AA1 (0.75) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL7382138 | 0.74 | NUDT1 (0.66) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL11697066 | 0.73 | CYP2D6 (0.47) | CYP2D6MAOAMAPK1ADRA1ASCN4A | |
| SCHEMBL6439475 | 0.72 | CNR2 (0.50) | CYP2D6MAOAMAPK1ADRA1ASCN4A |
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-2049497-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | claimed |
| WO-2006123165-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-11-23 | — | — | WO | claimed |
| EP-0563386-A1 | ANTICANCER COMPOSITION AND COMPOUND | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-10-06 | — | — | EP | disclosed |