Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729630 | 1.00 | ALDH1A1 (0.37) | ALDH1A1CYP1A2HIF1ASLC6A3SLC6A4 | |
| SCHEMBL9730177 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HIF1ABRD4 | |
| SCHEMBL9484967 | 0.75 | BRD4 (0.34) | ALDH1A1CYP1A2SLC6A3SLC6A4BRD4 | |
| SCHEMBL9729758 | 0.75 | BRD4 (0.34) | ALDH1A1CYP1A2SLC6A3SLC6A4BRD4 | |
| SCHEMBL9484972 | 0.75 | BRD4 (0.34) | ALDH1A1CYP1A2SLC6A3SLC6A4BRD4 | |
| SCHEMBL28594691 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HIF1ABRD4CYP2C19 | |
| SCHEMBL16512765 | 0.72 | ALDH1A1 (0.34) | ALDH1A1CYP1A2HIF1ABRD4 | |
| SCHEMBL9729414 | 0.72 | GRM2 (0.33) | — | |
| SCHEMBL28764852 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HIF1ABRD4 | |
| SCHEMBL9729462 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CYP1A2HIF1ABRD4 |
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-5102793-A | STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |