Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11348372 | 0.86 | PTPN1 (0.33) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL11784432 | 0.84 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL11784437 | 0.84 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL11351474 | 0.84 | ALDH1A1 (0.33) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL11614767 | 0.84 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL8989506 | 0.84 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL11539941 | 0.84 | ALDH1A1 (0.30) | ALDH1A1TDP1 | |
| SCHEMBL11615222 | 0.83 | ALDH1A1 (0.33) | ALDH1A1TDP1EPHX1 | |
| SCHEMBL11788926 | 0.83 | — | — | |
| SCHEMBL11615229 | 0.83 | ALDH1A1 (0.33) | ALDH1A1TDP1EPHX1 |
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-0295880-B1 | Substituted cyclic ketones, substituted cyclic enones, and process for producing the same | NISSAN CHEMICAL IND LTD (JP) | 1999-01-07 | — | — | EP | claimed |