Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9367163 | 1.00 | SLC18A3 (0.49) | SLC18A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9204631 | 1.00 | SLC18A3 (0.49) | SLC18A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9199068 | 0.81 | ALDH1A1 (0.47) | SLC18A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9199075 | 0.81 | ALDH1A1 (0.47) | SLC18A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9199080 | 0.81 | ALDH1A1 (0.47) | SLC18A3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL9200032 | 0.79 | DRD2 (0.60) | HTR1ADRD4HTR2AHTR7ADRA1A | |
| SCHEMBL9202901 | 0.79 | DRD2 (0.60) | HTR1ADRD4HTR2AHTR7ADRA1A | |
| SCHEMBL9200022 | 0.79 | DRD2 (0.60) | HTR1ADRD4HTR2AHTR7ADRA1A | |
| SCHEMBL9198839 | 0.74 | HRH3 (0.49) | OPRM1OPRD1OPRK1OPRL1HRH3 | |
| SCHEMBL9198827 | 0.74 | HRH3 (0.49) | OPRM1OPRD1OPRK1OPRL1HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431579-B1 | Substituted cyclohexenes as central nervous system agents | WARNER LAMBERT CO (US) | 1994-07-27 | — | — | EP | disclosed |
| EP-0431579-A2 | Substituted cyclohexenes as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4975445-A | Antidepressants | WARNER-LAMBERT COMPANY (US) | 1990-12-04 | — | — | US | disclosed |