Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.43 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24821340 | 0.89 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7158728 | 0.81 | AOC3 (0.62) | CYP1A2CYP2C19KDM4ETSHRPYCR1 | |
| SCHEMBL20103879 | 0.80 | MEN1 (0.48) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL24822509 | 0.79 | ERCC1 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4996903 | 0.79 | TAAR1 (0.60) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL24822513 | 0.76 | ERCC1 (0.43) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9591185 | 0.75 | IDO1 (0.54) | CYP1A2CYP2C19CYP3A4CYP2C9SIGMAR1 | |
| SCHEMBL18532755 | 0.74 | PYCR1 (0.67) | KDM4ETSHRPYCR1SIGMAR1TMEM97 | |
| SCHEMBL14006726 | 0.73 | PYCR1 (0.56) | KDM4ETSHRPYCR1SIGMAR1TMEM97 | |
| SCHEMBL5006086 | 0.73 | SLC6A4 (0.56) | CYP1A2CYP2C19CYP3A4CYP2C9CYP2D6 |
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-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |