Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL956233 | 0.85 | SIGMAR1 (0.67) | SIGMAR1TMEM97OPRL1DRD2HTR1A | |
| SCHEMBL954722 | 0.80 | SIGMAR1 (0.58) | SIGMAR1TMEM97DRD2HTR1AHTR2A | |
| SCHEMBL5170674 | 0.79 | SIGMAR1 (0.80) | SIGMAR1TMEM97DRD2HTR1AHTR2A | |
| Oxalic Acid SCHEMBL956463 | 0.78 | SIGMAR1 (0.53) | SIGMAR1TMEM97 | |
| SCHEMBL957063 | 0.76 | SIGMAR1 (0.51) | SIGMAR1TMEM97DRD2HTR1AHTR2A | |
| SCHEMBL2332817 | 0.73 | SIGMAR1 (0.57) | SIGMAR1TMEM97DRD2HTR1AHTR2A | |
| SCHEMBL956607 | 0.71 | SIGMAR1 (0.44) | SIGMAR1TMEM97POLBHRH3 | |
| Oxalic Acid SCHEMBL3567521 | 0.71 | SIGMAR1 (0.60) | SIGMAR1TMEM97OPRL1DRD2HTR1A | |
| SCHEMBL8272461 | 0.71 | SIGMAR1 (0.48) | SIGMAR1TMEM97HTR1A | |
| SCHEMBL958098 | 0.70 | SIGMAR1 (0.57) | SIGMAR1TMEM97HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-7829559-B2 | Substituted pyrazole sigma receptor antagonists | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-11-09 | — | — | US | claimed |