Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9373634 | 0.85 | CYP1A2 (0.41) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL8976810 | 0.83 | SIGMAR1 (0.44) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL9150904 | 0.79 | SIGMAR1 (0.49) | CYP3A4HTR1ASLC6A2ADRA1AKCNH2 | |
| SCHEMBL14064842 | 0.77 | CYP3A4 (0.55) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL22957649 | 0.76 | HTR1A (0.53) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL15131060 | 0.75 | CYP3A4 (0.75) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL8096618 | 0.75 | SIGMAR1 (0.53) | KCNH2KMT2AMEN1 | |
| SCHEMBL19750615 | 0.75 | HTR1A (0.51) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL3428508 | 0.72 | HTT (0.51) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 | |
| SCHEMBL8976770 | 0.71 | SIGMAR1 (0.43) | CYP3A4HTR1AADORA3SLC6A2SLC6A4 |
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 |