Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401889 | 0.80 | CARM1 (0.46) | SIGMAR1OPRK1ADRA2BADRA2CADRA1A | |
| SCHEMBL8091031 | 0.79 | SIGMAR1 (0.62) | SIGMAR1ADRA1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11117786 | 0.76 | OPRK1 (0.48) | SIGMAR1OPRK1ADRA2BADRA2CADRA1A | |
| Hydrochloric Acid SCHEMBL5092786 | 0.74 | OPRK1 (0.47) | SIGMAR1OPRK1ADRA2BADRA2CADRA1A | |
| Bromide SCHEMBL5092308 | 0.74 | OPRK1 (0.47) | SIGMAR1OPRK1ADRA2BADRA2CADRA1A | |
| Iodide SCHEMBL5092821 | 0.74 | OPRK1 (0.47) | SIGMAR1OPRK1ADRA2BADRA2CADRA1A | |
| SCHEMBL190949 | 0.73 | RIPK1 (0.59) | AOC3RIPK1 | |
| SCHEMBL3427848 | 0.71 | HTR2A (0.69) | OPRK1ADRA2BADRA1ASLC6A2HTR2A | |
| SCHEMBL22515947 | 0.71 | HTR2A (0.69) | OPRK1ADRA2BADRA1ASLC6A2HTR2A | |
| SCHEMBL19121804 | 0.71 | HTR2A (0.69) | OPRK1ADRA2BADRA1ASLC6A2HTR2A |
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 8 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-0612319-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-08-31 | — | — | EP | disclosed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | disclosed |
| WO-1994004525-A1 | BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-03-03 | — | — | WO | disclosed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | disclosed |