Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201106 | 1.00 | HTR1A (0.56) | HTR1AADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL3879984 | 1.00 | HTR1A (0.56) | HTR1AADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL28161959 | 0.84 | HRH3 (0.60) | HTR1AADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL29683564 | 0.84 | PLD1 (0.58) | HRH3 | |
| SCHEMBL243658 | 0.84 | PLD1 (0.58) | HRH3 | |
| SCHEMBL19823057 | 0.82 | HTR1A (0.70) | HTR1AADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL17557596 | 0.82 | PLD1 (0.56) | HRH3 | |
| Hydrochloric Acid SCHEMBL243428 | 0.82 | PLD1 (0.56) | HRH3 | |
| SCHEMBL3882641 | 0.82 | HTR1A (0.51) | HTR1AADRA1DADRA1AADRA1BHRH3 | |
| SCHEMBL7898534 | 0.81 | DRD2 (0.44) | HTR1A |
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-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 |