Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 3/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14064243 | 0.87 | ESR2 (0.52) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL17553493 | 0.85 | ESR2 (0.45) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL18458536 | 0.83 | ESR2 (0.47) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL24410942 | 0.83 | APP (0.51) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL18458823 | 0.82 | ESR2 (0.40) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL172402 | 0.82 | ESR2 (0.46) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL29611269 | 0.82 | ESR2 (0.46) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL19619449 | 0.81 | ESR2 (0.36) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL17552977 | 0.81 | CYP3A4 (0.38) | ESR2APPCYP3A4CYP2C9CYP2D6 | |
| SCHEMBL19619453 | 0.79 | ALOX5AP (0.35) | ESR2ACVRL1ARAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9822304-B2 | Liquid crystal composition and liquid crystal display element containing the same | DIC CORPORATION (JP) | 2017-11-21 | — | — | US | disclosed |