Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL11475406 | 0.89 | ALDH1A1 (0.46) | ALDH1A1TDP1CES2CES1HDAC3 | |
| SCHEMBL2784407 | 0.86 | — | — | |
| SCHEMBL107318 | 0.86 | — | — | |
| Ether SCHEMBL29286333 | 0.85 | CES1 (0.46) | ALDH1A1TDP1CES2CES1TSHR | |
| Ether SCHEMBL347668 | 0.83 | TDP1 (0.67) | ALDH1A1TDP1FFAR3TSHRSOAT1 | |
| SCHEMBL27756378 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL29110883 | 0.83 | — | — | |
| SCHEMBL28076828 | 0.83 | TDP1 (0.67) | ALDH1A1TDP1CES2CES1HDAC3 | |
| SCHEMBL412443 | 0.80 | TDP1 (0.53) | ALDH1A1TDP1CES2CES1HDAC3 | |
| SCHEMBL8618230 | 0.80 | TDP1 (0.53) | ALDH1A1TDP1CES2CES1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109232292-A | A kind of preparation method of 2,6- diethyl -4- aminomethyl phenyl malonamide | 浙江中山化工集团股份有限公司 | 2019-01-18 | — | — | CN | disclosed |