Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | DRD1 | P21728 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8100041 | 0.95 | SIGMAR1 (0.62) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL8091657 | 0.94 | SIGMAR1 (0.65) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL8084280 | 0.90 | SIGMAR1 (0.57) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL8099621 | 0.90 | SIGMAR1 (0.51) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL9752621 | 0.90 | SIGMAR1 (0.51) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL8099121 | 0.84 | SIGMAR1 (0.68) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL7790878 | 0.83 | AOC3 (0.55) | SIGMAR1AOC3KCNH2 | |
| SCHEMBL8091986 | 0.81 | SIGMAR1 (0.57) | SIGMAR1KCNH2 | |
| Hydrochloric Acid SCHEMBL11465961 | 0.81 | TAAR1 (0.62) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 | |
| SCHEMBL12902332 | 0.80 | SIGMAR1 (0.88) | SIGMAR1SLC6A2SLC6A4SLC6A3AOC3 |
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 6 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 | claimed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | claimed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | claimed |
| 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 |