Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | MC4R | P32245 | 1/20 | 0.54 |
| ▸ | HRH1 | P35367 | 1/20 | 0.54 |
| ▸ | SCN1A | P35498 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8976808 | 0.80 | SIGMAR1 (0.65) | SLC6A4SIGMAR1MEN1KMT2A | |
| SCHEMBL9150896 | 0.78 | SIGMAR1 (0.62) | SIGMAR1MEN1KMT2A | |
| SCHEMBL22957649 | 0.78 | HTR1A (0.53) | HTR1AADORA3SLC6A2SLC6A4ADRA1A | |
| SCHEMBL14064842 | 0.76 | CYP3A4 (0.55) | HTR1AADORA3SLC6A2SLC6A4ADRA1A | |
| SCHEMBL22558398 | 0.76 | SLC6A4 (0.62) | SLC6A4SIGMAR1 | |
| SCHEMBL15131060 | 0.74 | CYP3A4 (0.75) | HTR1AADORA3SLC6A2SLC6A4ADRA1A | |
| SCHEMBL8096613 | 0.74 | SIGMAR1 (0.77) | SIGMAR1MEN1KMT2A | |
| SCHEMBL19750615 | 0.73 | HTR1A (0.51) | HTR1AADORA3SLC6A2SLC6A4ADRA1A | |
| SCHEMBL21243263 | 0.73 | SIGMAR1 (0.53) | SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL7152487 | 0.73 | ADRB2 (0.61) | ADRB2ADRB1LMNA |
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 3 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 | 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 |