Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.60 |
| ▸ | DRD3 | P35462 | 4/20 | 0.60 |
| ▸ | DRD4 | P21917 | 6/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9200022 | 1.00 | DRD2 (0.60) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL9202901 | 1.00 | DRD2 (0.60) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL9200941 | 0.82 | DRD2 (0.54) | DRD2DRD3DRD4SIGMAR1CCR1 | |
| SCHEMBL9200935 | 0.82 | DRD2 (0.54) | DRD2DRD3DRD4SIGMAR1CCR1 | |
| SCHEMBL9200937 | 0.82 | DRD2 (0.54) | DRD2DRD3DRD4SIGMAR1CCR1 | |
| SCHEMBL9204631 | 0.79 | SLC18A3 (0.49) | DRD4HTR1AHTR2AHTR7ADRA1A | |
| SCHEMBL9367168 | 0.79 | SLC18A3 (0.49) | DRD4HTR1AHTR2AHTR7ADRA1A | |
| SCHEMBL9367163 | 0.79 | SLC18A3 (0.49) | DRD4HTR1AHTR2AHTR7ADRA1A | |
| SCHEMBL9196981 | 0.79 | DRD2 (0.53) | DRD2DRD3DRD4HTR1ASIGMAR1 | |
| SCHEMBL9196972 | 0.79 | DRD2 (0.53) | DRD2DRD3DRD4HTR1ASIGMAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431580-B1 | Substituted cyclohexanols as central nervous system agents | WARNER LAMBERT CO (US) | 1995-03-08 | — | — | EP | claimed |
| EP-0431580-B1 | Substituted cyclohexanols as central nervous system agents | WARNER LAMBERT CO (US) | 1995-03-08 | — | — | EP | disclosed |
| US-5047406-A | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT CO. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0431580-A2 | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | disclosed |
| US-4957921-A | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1990-09-18 | — | — | US | disclosed |