Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | WNT1 | P04628 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7475964 | 0.88 | CYP2D6 (0.47) | CYP2D6CYP2C9HIF1AALDH1A1SMN1; SMN2 | |
| SCHEMBL7474456 | 0.81 | MAPK14 (0.52) | — | |
| SCHEMBL1383396 | 0.81 | MAPK14 (0.52) | — | |
| SCHEMBL7803286 | 0.81 | MAPK14 (0.54) | CYP2D6 | |
| Hydrochloric Acid SCHEMBL7473782 | 0.81 | MAPK14 (0.51) | — | |
| SCHEMBL5322574 | 0.80 | MAPK14 (0.61) | ALDH1A1DYRK1AWNT1 | |
| SCHEMBL7476872 | 0.80 | MAPK14 (0.45) | — | |
| SCHEMBL1385251 | 0.79 | MAPK14 (0.55) | — | |
| Hydrochloric Acid SCHEMBL7468024 | 0.79 | MAPK14 (0.60) | DYRK1AWNT1 | |
| SCHEMBL1383366 | 0.79 | MAPK14 (0.57) | — |
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-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |