Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL19568076 | 1.00 | MAOA (0.45) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL19567881 | 1.00 | MAOA (0.45) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL19567521 | 0.86 | CARM1 (0.47) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL23514509 | 0.86 | JAK2 (0.42) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL19568085 | 0.86 | JAK2 (0.42) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL23514679 | 0.86 | OPRM1 (0.51) | JAK1JAK2OPRM1OPRL1 | |
| SCHEMBL19567523 | 0.86 | OPRM1 (0.51) | JAK1JAK2OPRM1OPRL1 | |
| SCHEMBL24093352 | 0.86 | OPRM1 (0.51) | JAK1JAK2OPRM1OPRL1 | |
| SCHEMBL19567374 | 0.85 | MAOA (0.47) | MAOAKDM1AMAOBJAK1JAK2 | |
| SCHEMBL19567390 | 0.85 | MAOA (0.47) | MAOAKDM1AMAOBJAK1JAK2 |
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-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |