Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1356487 | 0.93 | SIGMAR1 (0.57) | SIGMAR1HTR2BADORA2AADORA1KMT2A | |
| SCHEMBL1355010 | 0.91 | SIGMAR1 (0.64) | SIGMAR1HTR2BCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4654496 | 0.88 | SIGMAR1 (0.62) | SIGMAR1HTR2BADORA2AADORA1KMT2A | |
| SCHEMBL4655527 | 0.83 | SIGMAR1 (0.54) | SIGMAR1 | |
| SCHEMBL1354992 | 0.78 | SIGMAR1 (0.57) | SIGMAR1ADORA2AADORA1LMNAGAA | |
| SCHEMBL1354868 | 0.76 | SIGMAR1 (0.57) | SIGMAR1HTR2BADORA2AADORA1KDM4E | |
| SCHEMBL1356396 | 0.76 | SIGMAR1 (0.67) | SIGMAR1 | |
| Oxalic Acid SCHEMBL1356496 | 0.74 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2D6CYP2C19KMT2A | |
| Oxalic Acid SCHEMBL1356549 | 0.74 | SIGMAR1 (0.54) | SIGMAR1KDM4ELMNAGAAALDH1A1 | |
| SCHEMBL1357638 | 0.72 | SIGMAR1 (0.71) | SIGMAR1HTR2BCYP1A2CYP2D6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1994008-A2 | IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR | Laboratorios del Dr. Esteve S.A. (ES) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007098967-A2 | IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR | LABORATORIOS DEL DR.ESTEVE, S.A. (ES) | 2007-09-07 | — | — | WO | disclosed |