Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7267287 | 0.76 | — | — | |
| SCHEMBL982455 | 0.72 | CES2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL11716989 | 0.71 | — | — | |
| SCHEMBL11687204 | 0.70 | CES2 (0.38) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1243205 | 0.70 | CES2 (0.38) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL9555555 | 0.70 | HDAC1 (0.42) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL103348 | 0.69 | — | — | |
| SCHEMBL7913100 | 0.69 | CES2 (0.47) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1699145 | 0.68 | CES2 (0.36) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL28850581 | 0.68 | CES2 (0.36) | CES2CES1HDAC3HDAC1HDAC2 |
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-111032651-A | Heterocyclic compounds | 武田药品工业株式会社 | 2020-04-17 | — | — | CN | disclosed |