Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20390034 | 0.89 | CYP2C9 (0.54) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL3688441 | 0.88 | ESR2 (0.41) | CYP2C9ESR2LMNADRD2ESR1 | |
| SCHEMBL9062385 | 0.85 | KDM1A (0.48) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL9062391 | 0.85 | KDM1A (0.48) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL20390027 | 0.84 | CYP2C9 (0.43) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL11187439 | 0.82 | ESR2 (0.52) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL11187444 | 0.82 | ESR2 (0.52) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL9061318 | 0.81 | L3MBTL1 (0.45) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL22932556 | 0.81 | KDM1A (0.45) | CYP2C9ESR2ALDH1A1LMNAMAPT | |
| SCHEMBL9061313 | 0.81 | L3MBTL1 (0.45) | CYP2C9ESR2ALDH1A1LMNAMAPT |
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-20180201835-A1 | LIQUID CRYSTALLINE EPOXY COMPOUND WITH TERMINAL MESOGEN CONNECTED BY FLEXIBLE LINKAGE AND METHOD FOR PREPARING THE SAME | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2018-07-19 | — | — | US | disclosed |