Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 14/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | MIF | P14174 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18613027 | 0.87 | SIGMAR1 (0.70) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1739883 | 0.84 | SIGMAR1 (1.00) | SIGMAR1KCNH2 | |
| SCHEMBL9978379 | 0.82 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL17848820 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978613 | 0.81 | SIGMAR1 (0.74) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978393 | 0.79 | SIGMAR1 (0.93) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486350 | 0.78 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Maleic Acid SCHEMBL20486348 | 0.78 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Fumaric Acid SCHEMBL18585977 | 0.78 | SIGMAR1 (0.89) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9978430 | 0.77 | SIGMAR1 (0.68) | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2576543-B1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2016-12-21 | — | — | EP | claimed |
| US-9181195-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-11-10 | — | — | US | claimed |
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | claimed |
| EP-2576543-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | Laboratorios del Dr. Esteve S.A. (ES) | 2013-04-10 | — | — | EP | claimed |
| WO-2011147910-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-12-01 | — | — | WO | claimed |
| US-20170273948-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2017-09-28 | — | — | US | disclosed |
| EP-2576543-B1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2016-12-21 | — | — | EP | disclosed |
| EP-2576543-B1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | ESTEVE LABOR DR (ES) | 2016-12-21 | — | — | EP | disclosed |
| US-9181195-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-11-10 | — | — | US | disclosed |
| US-9181195-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-11-10 | — | — | US | disclosed |
| US-9181195-B2 | Sigma receptor inhibitors | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2015-11-10 | — | — | US | disclosed |
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | disclosed |
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | disclosed |
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2013-06-20 | — | — | US | disclosed |
| WO-2011147910-A1 | PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2011-12-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130158029-A1 | SIGMA RECEPTOR INHIBITORS | SIGMAR1, TMEM97, OPRL1 | SIGMAR1 1/4885CYP1A2 101/4885CYP3A4 390/4885 |
| US-20170273948-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | SIGMAR1, OPRL1, OPRK1 | SIGMAR1 1/4885CYP1A2 294/4885CYP3A4 930/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.