Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL18098078 | 0.84 | CYP1A2 (0.51) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| Hydrochloric Acid SCHEMBL30593945 | 0.82 | ALDH1A1 (0.51) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL19185671 | 0.82 | CYP1A2 (0.50) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL15594566 | 0.81 | FDPS (0.51) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL8662285 | 0.81 | CYP1A2 (0.53) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL574013 | 0.81 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL30201139 | 0.81 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| Hydrochloric Acid SCHEMBL28100597 | 0.81 | ALDH1A1 (0.50) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL22421032 | 0.80 | HRH1 (0.50) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 | |
| SCHEMBL20333047 | 0.80 | HRH1 (0.50) | CYP1A2ALDH1A1CYP2C19HRH3HRH1 |
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-3315492-A1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2018-05-02 | — | — | EP | disclosed |