Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 1.00 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | DRD1 | P21728 | 2/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28406689 | 0.87 | SIGMAR1 (0.77) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL2943663 | 0.84 | SIGMAR1 (0.71) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL22431538 | 0.83 | SIGMAR1 (0.70) | SIGMAR1OPRK1OPRM1OPRD1 | |
| SCHEMBL19498790 | 0.79 | SIGMAR1 (1.00) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL12503887 | 0.77 | SIGMAR1 (0.63) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL612930 | 0.75 | SIGMAR1 (0.59) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL27010009 | 0.74 | KCNH2 (0.61) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL8092832 | 0.73 | SIGMAR1 (0.57) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL22398926 | 0.73 | SIGMAR1 (0.57) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 | |
| SCHEMBL26243215 | 0.72 | SIGMAR1 (0.57) | SIGMAR1SLC6A2ADRA1ASLC6A3KCNH2 |
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 |