Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5049280 | 0.79 | MAPT (0.55) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL6343638 | 0.79 | MAPT (0.55) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL21679933 | 0.79 | CES2 (0.52) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL14596409 | 0.77 | CES2 (0.50) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL2287032 | 0.76 | MEN1 (0.54) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL7922645 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL206782 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL28399767 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL6036757 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 | |
| SCHEMBL942286 | 0.74 | CES2 (0.48) | CES2CES1CYP2A6CA1CA2 |
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-2990459-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | Merck Patent GmbH (DE) | 2016-03-02 | — | — | EP | disclosed |