Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | OGG1 | O15527 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | EPM2A | O95278 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL27965675 | 0.76 | KCNN4 (0.48) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL17054 | 0.76 | NR1H2 (0.56) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL3349106 | 0.73 | CA1 (0.41) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL16737 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9NR1H3 | |
| SCHEMBL18846 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9NR1H3 | |
| SCHEMBL1051509 | 0.73 | CA1 (0.45) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL19219 | 0.73 | HSD11B1 (0.54) | CA1CA2CA5ACA9NR1H3 | |
| SCHEMBL29091898 | 0.71 | CA1 (0.43) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL28771440 | 0.71 | CA1 (0.43) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL29091902 | 0.71 | CA1 (0.43) | CA1CA2CA5ACA9CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758377-B1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-02 | — | — | EP | disclosed |