Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872136 | 0.85 | QPCT (0.42) | ESR2FASNESR1CYP3A4CYP2C9 | |
| SCHEMBL23346034 | 0.85 | BACE1 (0.41) | ESR2ESR1CYP3A4CYP2C9APP | |
| SCHEMBL17719303 | 0.84 | ESR2 (0.50) | ESR2FASNCYP3A4CYP2C9APP | |
| SCHEMBL23346040 | 0.82 | ESR2 (0.39) | ESR2 | |
| SCHEMBL12377041 | 0.78 | FASN (0.49) | ESR2FASNESR1CYP3A4CYP2C9 | |
| SCHEMBL17108414 | 0.78 | ESR2 (0.44) | ESR2FASNCYP3A4CYP2C9APP | |
| SCHEMBL23346027 | 0.78 | ESR2 (0.49) | ESR2ESR1APP | |
| SCHEMBL91870 | 0.76 | FASN (0.43) | ESR2FASNCYP3A4CYP2C9APP | |
| SCHEMBL16317705 | 0.76 | FASN (0.47) | ESR2FASNCYP3A4CYP2C9APP | |
| SCHEMBL13614719 | 0.76 | FASN (0.43) | ESR2FASNCYP3A4CYP2C9APP |
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-20210139779-A1 | Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same | MERCK PATENT GMBH (DE) | 2021-05-13 | — | — | US | disclosed |