Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 8/20 | 0.36 |
| ▸ | CES1 | P23141 | 7/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | SRD5A2 | P31213 | 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 | |
|---|---|---|---|---|
| SCHEMBL28212264 | 0.79 | — | — | |
| SCHEMBL51519 | 0.74 | NPC1 (0.35) | CES2CES1ALDH1A1LMNAMAPK1 | |
| SCHEMBL30336215 | 0.71 | AKT1 (0.45) | CES2CES1AKT1ALDH1A1LMNA | |
| SCHEMBL7801403 | 0.71 | TSHR (0.36) | CES2CES1ALDH1A1LMNAHPGD | |
| SCHEMBL31157635 | 0.71 | NPC1 (0.39) | CES2CES1AKT1ALDH1A1HPGD | |
| SCHEMBL11350900 | 0.70 | ALDH1A1 (0.33) | CES2CES1ALDH1A1LMNAHPGD | |
| SCHEMBL20448829 | 0.67 | — | — | |
| SCHEMBL12230997 | 0.67 | — | — | |
| SCHEMBL19032029 | 0.67 | CYP2C19 (0.37) | CES2CES1ALDH1A1LMNAMAPK1 | |
| SCHEMBL1987457 | 0.66 | — | — |
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-0351603-B1 | Transvinylation reaction | UNION CARBIDE CORP (US) | 1994-12-07 | — | — | EP | claimed |