Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 4/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2741558 | 0.90 | ESR2 (0.44) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL13614719 | 0.90 | FASN (0.43) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL13447437 | 0.89 | ESR2 (0.42) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL24661359 | 0.87 | AKR1C3 (0.43) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL16280876 | 0.87 | ESR2 (0.44) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL2741559 | 0.87 | ESR2 (0.44) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL13614717 | 0.86 | FASN (0.40) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL18866828 | 0.86 | CYP3A4 (0.46) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL19493506 | 0.86 | CYP3A4 (0.43) | ESR2CYP3A4CYP2C9APPCYP2D6 | |
| SCHEMBL10091213 | 0.86 | CYP3A4 (0.46) | ESR2CYP3A4CYP2C9APPCYP2D6 |
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-2123623-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2009-11-25 | — | — | EP | disclosed |