Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 1.00 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 1.00 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL954332 | 1.00 | SIGMAR1 (1.00) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| SCHEMBL3381500 | 1.00 | SIGMAR1 (1.00) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1402477 | 0.99 | SIGMAR1 (0.98) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1402981 | 0.99 | SIGMAR1 (0.98) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1162900 | 0.99 | SIGMAR1 (0.98) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| Oxalic Acid SCHEMBL955643 | 0.95 | SIGMAR1 (0.90) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| SCHEMBL954295 | 0.93 | SIGMAR1 (0.87) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| SCHEMBL953780 | 0.91 | SIGMAR1 (0.83) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| SCHEMBL958221 | 0.91 | SIGMAR1 (0.83) | SIGMAR1TMEM97DHODHNPC1ALDH1A1 | |
| SCHEMBL957538 | 0.90 | SIGMAR1 (0.82) | SIGMAR1TMEM97HTR1A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2468728-A1 | 2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-YL)ethylamine derivatives useful as sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-06-27 | — | — | EP | disclosed |
| EP-2468728-A1 | 2-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-YL)ethylamine derivatives useful as sigma receptor inhibitors | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2012-06-27 | — | — | EP | disclosed |
| WO-2012072791-A2 | 2-(1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOL-4-YL)ETHYLAMINE DERIVATIVES USEFUL AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-07 | — | — | WO | disclosed |
| WO-2012072791-A2 | 2-(1-PHENYL-4,5,6,7-TETRAHYDRO-1H-INDAZOL-4-YL)ETHYLAMINE DERIVATIVES USEFUL AS SIGMA RECEPTOR INHIBITORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-07 | — | — | WO | disclosed |
| WO-2010066829-A1 | PROCESS FOR OBTAINING ENANTIOMERICALLY ENRICHED PYRAZOLE DERIVATIVES | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010066829-A1 | PROCESS FOR OBTAINING ENANTIOMERICALLY ENRICHED PYRAZOLE DERIVATIVES | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-06-17 | — | — | WO | disclosed |
| EP-2196458-A1 | Process for obtaining enantiomerically enriched pyrazole derivatives | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |
| EP-2196458-A1 | Process for obtaining enantiomerically enriched pyrazole derivatives | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |