Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL2199431 | 1.00 | MCHR1 (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2199425 | 1.00 | MCHR1 (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2200859 | 0.94 | NOTUM (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2198537 | 0.90 | KMT2A (0.39) | POLB | |
| SCHEMBL2198543 | 0.90 | KMT2A (0.39) | POLB | |
| SCHEMBL2198541 | 0.90 | KMT2A (0.39) | POLB | |
| SCHEMBL2202893 | 0.90 | NOTUM (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2201145 | 0.90 | NOTUM (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2201137 | 0.90 | NOTUM (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 | |
| SCHEMBL2202898 | 0.90 | NOTUM (0.37) | MCHR1NOTUMCYP2D6CYP2C19NPSR1 |
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 |