Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27886895 | 0.94 | TSHR (0.59) | SIGMAR1TSHRKCNH2CYP2C19CHRM2 | |
| SCHEMBL7138237 | 0.88 | SIGMAR1 (0.62) | SIGMAR1KCNH2CHRM2HTR1AADRA2A | |
| SCHEMBL11798046 | 0.84 | TSHR (0.61) | SIGMAR1TSHRKCNH2CYP2C19CHRM2 | |
| SCHEMBL16329012 | 0.84 | TSHR (0.61) | SIGMAR1TSHRKCNH2CYP2C19 | |
| SCHEMBL10647345 | 0.84 | TSHR (0.52) | SIGMAR1TSHRKCNH2CYP2C19HTR1A | |
| SCHEMBL7762911 | 0.84 | TSHR (0.61) | SIGMAR1TSHRKCNH2CYP2C19 | |
| SCHEMBL10653978 | 0.84 | TSHR (0.52) | SIGMAR1TSHRKCNH2CYP2C19HTR1A | |
| SCHEMBL10647428 | 0.84 | TSHR (0.52) | SIGMAR1TSHRKCNH2CYP2C19HTR1A | |
| SCHEMBL10650134 | 0.84 | TSHR (0.52) | SIGMAR1TSHRKCNH2CYP2C19HTR1A | |
| Hydrochloric Acid SCHEMBL2247210 | 0.82 | TSHR (0.59) | SIGMAR1TSHRKCNH2CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |