Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17827799 | 0.90 | CES2 (0.31) | CES2CES1 | |
| SCHEMBL6456856 | 0.90 | ESR2 (0.34) | ESR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6456852 | 0.90 | ESR2 (0.34) | ESR2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8767030 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL18458536 | 0.83 | ESR2 (0.47) | ESR2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12997531 | 0.83 | CES2 (0.35) | ESR2CES2CES1 | |
| SCHEMBL18458823 | 0.83 | ESR2 (0.40) | ESR2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13557300 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL19619469 | 0.82 | ESR2 (0.30) | ESR2 | |
| SCHEMBL8623567 | 0.81 | ESR2 (0.48) | ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8043670-B2 | Polymerizable mesogenic cyclohexyl derivatives | MERCK PATENT GMBH (DE) | 2011-10-25 | — | — | US | disclosed |
| US-8043670-B2 | Polymerizable mesogenic cyclohexyl derivatives | MERCK PATENT GMBH (DE) | 2011-10-25 | — | — | US | disclosed |
| EP-1626079-B1 | Polymerisable mesogenic cyclohexylphenyl derivatives | MERCK PATENT GMBH (DE) | 2008-04-02 | — | — | EP | disclosed |