Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL11517795 | 0.80 | CES2 (0.50) | CES2FFAR3ALDH1A1 | |
| SCHEMBL810832 | 0.77 | — | — | |
| SCHEMBL11517688 | 0.76 | CES2 (0.42) | CES2HPGD | |
| SCHEMBL2171289 | 0.76 | CES2 (0.34) | CES2HPGD | |
| SCHEMBL407285 | 0.76 | TDP1 (0.47) | TDP1FFAR3ALDH1A1CYP2C9 | |
| SCHEMBL7582688 | 0.74 | TDP1 (0.45) | TDP1FFAR3ALDH1A1CYP2C9 | |
| SCHEMBL15659854 | 0.74 | TDP1 (0.45) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL17729311 | 0.73 | CES2 (0.34) | CES2ALDH1A1HPGD | |
| SCHEMBL93369 | 0.73 | — | — | |
| SCHEMBL1043504 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4180386-A | ANTIKNOCK FUEL ADDITIVES | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1979-12-25 | — | — | US | disclosed |