Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL9367382 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1LMNAHPGDCASP1 | |
| SCHEMBL9367385 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1LMNAHPGDCASP1 | |
| SCHEMBL9199099 | 0.84 | DRD2 (0.49) | KDM4EALDH1A1LMNAHPGDCASP1 | |
| SCHEMBL9199103 | 0.84 | DRD2 (0.49) | KDM4EALDH1A1LMNAHPGDCASP1 | |
| SCHEMBL9199108 | 0.84 | DRD2 (0.49) | KDM4EALDH1A1LMNAHPGDCASP1 | |
| SCHEMBL9202976 | 0.82 | HRH3 (0.48) | HRH3HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9202985 | 0.82 | HRH3 (0.48) | HRH3HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9199399 | 0.82 | GRIN2B (0.55) | HRH3HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9202990 | 0.82 | HRH3 (0.48) | HRH3HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9197205 | 0.82 | DRD2 (0.62) | 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 9 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-A2 | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1991-06-12 | — | — | EP | claimed |
| EP-0431580-B1 | Substituted cyclohexanols as central nervous system agents | WARNER LAMBERT CO (US) | 1995-03-08 | — | — | EP | disclosed |
| EP-0431579-B1 | Substituted cyclohexenes as central nervous system agents | WARNER LAMBERT CO (US) | 1994-07-27 | — | — | 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 |
| 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 |
| US-4957921-A | Substituted cyclohexanols as central nervous system agents | WARNER-LAMBERT COMPANY (US) | 1990-09-18 | — | — | US | disclosed |