Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CASR | P41180 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 2/20 | 0.42 |
| ▸ | MC5R | P33032 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | MC3R | P41968 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093077 | 0.91 | CASR (0.49) | SIGMAR1CYP1A2CASRCYP2A6MC4R | |
| SCHEMBL8096835 | 0.89 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CASRMC4RMC5R | |
| SCHEMBL8091780 | 0.82 | SIGMAR1 (0.53) | SIGMAR1CYP1A2 | |
| SCHEMBL8092957 | 0.78 | L3MBTL1 (0.56) | SIGMAR1 | |
| SCHEMBL9666471 | 0.76 | SIGMAR1 (0.59) | SIGMAR1CYP1A2HDAC1HDAC8CYP2A6 | |
| SCHEMBL8099093 | 0.76 | SIGMAR1 (0.52) | SIGMAR1 | |
| SCHEMBL9752778 | 0.76 | MEN1 (0.46) | SIGMAR1 | |
| SCHEMBL12251060 | 0.74 | CYP1A2 (0.50) | SIGMAR1CYP1A2CASRCYP2A6MC4R | |
| SCHEMBL9373302 | 0.74 | SIGMAR1 (0.68) | SIGMAR1CYP1A2MC4RMC5RMC3R | |
| SCHEMBL9752836 | 0.73 | DRD2 (0.45) | SIGMAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | 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 |
| WO-1991009594-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1991-07-11 | — | — | WO | disclosed |