Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7923053 | 0.81 | SIGMAR1 (0.49) | SIGMAR1NOTUM | |
| SCHEMBL16202039 | 0.78 | ALDH1A1 (0.40) | SIGMAR1NOTUM | |
| SCHEMBL2615992 | 0.77 | NOTUM (0.51) | SIGMAR1NOTUM | |
| SCHEMBL731151 | 0.77 | SIGMAR1 (0.67) | SIGMAR1KCNH2 | |
| SCHEMBL466979 | 0.76 | SIGMAR1 (0.88) | SIGMAR1KCNH2 | |
| SCHEMBL27781400 | 0.75 | ABCB11 (0.50) | — | |
| SCHEMBL28783897 | 0.75 | ALDH1A1 (0.50) | NOTUM | |
| Hydrochloric Acid SCHEMBL1903312 | 0.75 | SIGMAR1 (0.86) | SIGMAR1KCNH2 | |
| SCHEMBL28020284 | 0.75 | NOTUM (0.57) | NOTUM | |
| SCHEMBL24891467 | 0.74 | SIGMAR1 (0.46) | SIGMAR1KCNH2NOTUM |
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-1829873-A1 | Pyrrazole derivatives as sigma receptors antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-09-05 | — | — | EP | disclosed |