Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CRHBP | P24387 | 2/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14801574 | 0.93 | PIM1 (0.39) | OPRK1CYP2C9CYP3A4ALDH1A1CRHBP | |
| SCHEMBL14801414 | 0.87 | CKS1B (0.38) | OPRK1PIM1GAA | |
| SCHEMBL14801227 | 0.87 | OPRK1 (0.36) | OPRK1CYP2C9CYP3A4ALDH1A1CRHBP | |
| SCHEMBL14800751 | 0.87 | PIM1 (0.41) | OPRK1CYP3A4PIM1 | |
| SCHEMBL14801040 | 0.86 | OPRK1 (0.36) | OPRK1CYP2C9CYP3A4ALDH1A1CRHBP | |
| SCHEMBL14801511 | 0.85 | PIM1 (0.39) | OPRK1ALDH1A1PIM1GAAPKM | |
| SCHEMBL16504785 | 0.81 | OPRK1 (0.43) | OPRK1ALDH1A1GAAPOLBMAPT | |
| SCHEMBL27979904 | 0.79 | GAA (0.35) | OPRK1CYP2C9CYP3A4ALDH1A1GAA | |
| SCHEMBL27980115 | 0.79 | GAA (0.35) | OPRK1CYP2C9CYP3A4ALDH1A1GAA | |
| SCHEMBL14800752 | 0.78 | PIM1 (0.36) | OPRK1CYP2C9CYP3A4PIM1GAA |
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-2760857-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013045461-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-04 | — | — | WO | disclosed |