Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19102745 | 0.82 | CES2 (0.39) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL23395187 | 0.80 | DEGS1 (0.43) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL24520419 | 0.77 | NFE2L2 (0.52) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL19265118 | 0.75 | AKT1 (0.42) | CES2CES1MEN1KMT2AMTNR1A | |
| SCHEMBL20625867 | 0.74 | MEN1 (0.32) | MEN1KMT2ANFE2L2CA12CA1 | |
| SCHEMBL24088235 | 0.72 | CES2 (0.32) | CES2CES1MTNR1AMTNR1BCYP1A2 | |
| SCHEMBL1072240 | 0.72 | CES2 (0.38) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL1072242 | 0.72 | CES2 (0.38) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL24884751 | 0.71 | ATM (0.35) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL19933710 | 0.71 | ATM (0.35) | CES2CES1MEN1KMT2AALDH1A1 |
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-3228682-A2 | NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME | DIC Corporation (JP) | 2017-10-11 | — | — | EP | disclosed |