Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 6/20 | 0.43 |
| ▸ | CES1 | P23141 | 6/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4668407 | 0.78 | — | — | |
| SCHEMBL4668408 | 0.78 | — | — | |
| SCHEMBL16585043 | 0.78 | — | — | |
| SCHEMBL6975600 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL626129 | 0.73 | CES2 (0.50) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL42694 | 0.71 | — | — | |
| SCHEMBL1796161 | 0.71 | — | — | |
| SCHEMBL3983771 | 0.71 | — | — | |
| SCHEMBL22845556 | 0.71 | — | — | |
| SCHEMBL7606403 | 0.70 | CES2 (0.59) | ALDH1A1CES2CES1TSHRTDP1 |
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-0916651-A1 | PHENYLALKYLCARBOXYLIC ACID DERIVATIVES | Sankyo Company, Limited (JP) | 1999-05-19 | — | — | EP | disclosed |