Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 6/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | MC5R | P33032 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8091054 | 0.91 | SIGMAR1 (0.53) | CASRSIGMAR1CYP1A2CYP2A6MC4R | |
| SCHEMBL12251060 | 0.83 | CYP1A2 (0.50) | CASRSIGMAR1CYP1A2CYP2A6MC4R | |
| SCHEMBL6231282 | 0.81 | ATM (0.52) | SIGMAR1CYP1A2 | |
| SCHEMBL8096835 | 0.81 | SIGMAR1 (0.46) | CASRSIGMAR1CYP1A2MC4RMC5R | |
| SCHEMBL1680520 | 0.74 | TAAR1 (0.57) | SIGMAR1CYP1A2CYP2A6MC4RMC5R | |
| Hydrochloric Acid SCHEMBL6559137 | 0.73 | TAAR1 (0.55) | SIGMAR1CYP1A2CYP2A6MC4RMC5R | |
| SCHEMBL3585668 | 0.73 | CA1 (0.53) | CYP1A2CYP2A6MC4RMC5R | |
| SCHEMBL8100039 | 0.72 | NQO2 (0.51) | CASRSIGMAR1CYP1A2 | |
| SCHEMBL17023194 | 0.71 | SLC13A5 (0.53) | SIGMAR1CYP1A2CYP2A6SLC13A5HRH3 | |
| SCHEMBL21447597 | 0.71 | CYP1A2 (0.57) | SIGMAR1CYP1A2CYP2A6MC4RMC5R |
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 |
| 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 |