Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8977238 | 0.91 | HRH3 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1 | |
| SCHEMBL7751116 | 0.90 | ESR2 (0.34) | ALDH1A1CYP3A4LMNATP53PTGS1 | |
| Phenol SCHEMBL7771905 | 0.76 | CYP1A2 (0.55) | ALDH1A1CYP1A2MAPTESR1ACHE | |
| Phenol SCHEMBL7544225 | 0.75 | CYP1A2 (0.53) | ALDH1A1CYP1A2MAPTACHEBCHE | |
| SCHEMBL7757304 | 0.73 | KCNH2 (0.36) | CYP1A2MAPTCHRM2CHRM5CHRM1 | |
| P-Cresol SCHEMBL27506404 | 0.71 | ESR1 (0.46) | ALDH1A1CYP3A4LMNATP53PTGS1 | |
| SCHEMBL1531772 | 0.70 | ESR2 (0.65) | ALDH1A1CYP3A4LMNACYP2C9MAPK1 | |
| SCHEMBL220950 | 0.70 | ESR2 (0.65) | ALDH1A1CYP3A4LMNACYP2C9MAPK1 | |
| SCHEMBL9192415 | 0.70 | PTGS2 (0.68) | ALDH1A1CYP3A4LMNATP53PTGS1 | |
| SCHEMBL4594417 | 0.70 | ESR1 (0.58) | ALDH1A1CYP3A4LMNATP53PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0708107-B1 | Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition | SHINETSU CHEMICAL CO (JP) | 2001-02-28 | — | — | EP | disclosed |