Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAPK7 | Q13164 | 7/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.37 |
| ▸ | TEAD4 | Q15561 | 2/20 | 0.37 |
| ▸ | TEAD2 | Q15562 | 2/20 | 0.37 |
| ▸ | TEAD3 | Q99594 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2198696 | 1.00 | EPHX2 (0.39) | EPHX2ALDH1A1MAPK1MAPK7CCR5 | |
| SCHEMBL2201309 | 0.92 | SCN9A (0.39) | MAPK7CCR5KMT2A | |
| SCHEMBL2198832 | 0.92 | SCN9A (0.39) | MAPK7CCR5KMT2A | |
| SCHEMBL2198840 | 0.92 | SCN9A (0.39) | MAPK7CCR5KMT2A | |
| SCHEMBL2203621 | 0.85 | MCHR1 (0.43) | ALDH1A1MAPK1MAPK7TP53 | |
| SCHEMBL2201175 | 0.84 | KMT2A (0.47) | MAPK7CCR5KMT2A | |
| SCHEMBL2203381 | 0.84 | KMT2A (0.47) | MAPK7CCR5KMT2A | |
| SCHEMBL2201167 | 0.84 | KMT2A (0.47) | MAPK7CCR5KMT2A | |
| SCHEMBL2200231 | 0.83 | KMT2A (0.40) | ALDH1A1KMT2A | |
| SCHEMBL2202594 | 0.83 | KMT2A (0.40) | ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7977358-B2 | Pyrazol derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| EP-2182953-A2 | NEW PYRAZOL DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009013211-A2 | NEW PYRAZOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-29 | — | — | WO | disclosed |