Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 3/20 | 0.32 |
| ▸ | ADH1C | P00326 | 2/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16949669 | 0.81 | ADH1A (0.48) | ADH1AADH1CROCK2ROCK1CA12 | |
| SCHEMBL7847766 | 0.80 | ADH1A (0.31) | ADH1AADH1CROCK2ROCK1 | |
| SCHEMBL7855322 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL460664 | 0.79 | ADH1A (0.50) | ADH1AADH1CROCK2ROCK1CA12 | |
| SCHEMBL14432505 | 0.76 | DRD3 (0.44) | — | |
| SCHEMBL13745011 | 0.74 | DRD2 (0.37) | ADH1AADH1CADH4 | |
| Hydrochloric Acid SCHEMBL28846790 | 0.74 | ADH1C (0.39) | ADH1AADH1CROCK2ROCK1ADH4 | |
| SCHEMBL7855656 | 0.70 | DRD3 (0.37) | — | |
| SCHEMBL7058383 | 0.70 | DRD3 (0.36) | — | |
| SCHEMBL18884478 | 0.69 | — | — |
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-1144403-A1 | SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000031063-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-06-02 | — | — | WO | disclosed |