Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | HRH2 | P25021 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17822254 | 0.86 | HTR2A (0.46) | SLC6A2SLC6A4SLC6A3CHRM2CHRM5 | |
| SCHEMBL15564175 | 0.86 | HTR2A (0.46) | SLC6A2SLC6A4SLC6A3CHRM2CHRM5 | |
| SCHEMBL15566084 | 0.85 | ITK (0.47) | SLC6A2SLC6A4SLC6A3HTR2AHRH1 | |
| SCHEMBL15565790 | 0.80 | CFD (0.41) | SLC6A2SLC6A4SLC6A3HTR2AHRH1 | |
| SCHEMBL15564895 | 0.79 | ITK (0.47) | SLC6A2SLC6A4SLC6A3HTR2AHRH1 | |
| SCHEMBL406304 | 0.76 | CYP19A1 (0.55) | SLC6A2SLC6A4SLC6A3HRH3CHRM2 | |
| SCHEMBL15565031 | 0.75 | PNMT (0.40) | SLC6A2SLC6A4SLC6A3HRH3TSHR | |
| SCHEMBL401510 | 0.75 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HRH3CHRM2 | |
| SCHEMBL15564642 | 0.74 | ITK (0.41) | HTR2AHRH1OPRK1AURKAITK | |
| SCHEMBL407149 | 0.73 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3HRH3CHRM2 |
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-2882718-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023258-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |