Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 2/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 2/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 2/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 2/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.50 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9978379 | 1.00 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL17848820 | 0.99 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978393 | 0.96 | SIGMAR1 (0.93) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Fumaric Acid SCHEMBL18585977 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486350 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486348 | 0.94 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL18585960 | 0.89 | SIGMAR1 (0.82) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL18585978 | 0.89 | SIGMAR1 (0.80) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL20486387 | 0.87 | SIGMAR1 (0.77) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL18586049 | 0.87 | SIGMAR1 (0.77) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3344620-B1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | ESTEVE PHARMACEUTICALS SA (ES) | 2022-10-26 | — | — | EP | claimed |
| EP-3344620-B1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | ESTEVE PHARMACEUTICALS SA (ES) | 2022-10-26 | — | — | EP | disclosed |
| EP-3344620-B1 | 1-(4-(2-((1-(3,4-DIFLUOROPHENYL)-1H-PYRAZOL-3-YL)METHOXY)ETHYL) PIPERAZIN-1-YL)ETHANONE SALTS | ESTEVE PHARMACEUTICALS SA (ES) | 2022-10-26 | — | — | EP | disclosed |