Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11222563 | 0.93 | SIGMAR1 (0.44) | SIGMAR1DRD2OPRM1ALDH1A1CYP1A2 | |
| SCHEMBL11234669 | 0.90 | SIGMAR1 (0.43) | SIGMAR1DRD2OPRM1ALDH1A1CYP1A2 | |
| SCHEMBL11224270 | 0.89 | SIGMAR1 (0.58) | SIGMAR1DRD2OPRM1CYP1A2CYP3A4 | |
| SCHEMBL11234698 | 0.81 | OPRM1 (0.47) | SIGMAR1DRD2OPRM1KCNH2 | |
| SCHEMBL11229748 | 0.80 | ALDH1A1 (0.39) | SIGMAR1DRD2OPRM1KCNH2ALDH1A1 | |
| SCHEMBL11233253 | 0.80 | DRD2 (0.43) | DRD2OPRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11220552 | 0.79 | DRD2 (0.47) | DRD2OPRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11233426 | 0.78 | DRD2 (0.44) | DRD2OPRM1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11236321 | 0.78 | DRD2 (0.46) | DRD2OPRM1ALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11226124 | 0.78 | DRD2 (0.46) | DRD2OPRM1CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4353901-A | HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA | SYNTEX (U.S.A.) INC. (US) | 1982-10-12 | — | — | US | disclosed |