Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9637221 | 0.83 | THRB (0.32) | THRBBRD4 | |
| SCHEMBL10668483 | 0.76 | — | — | |
| SCHEMBL9638038 | 0.74 | — | — | |
| SCHEMBL9637262 | 0.71 | CYP1A2 (0.36) | CYP1A2HIF1A | |
| SCHEMBL31196978 | 0.70 | THRB (0.38) | CYP1A2HIF1ATHRBBRD4 | |
| SCHEMBL2607959 | 0.70 | CYP1A2 (0.35) | CYP1A2HIF1ATHRB | |
| SCHEMBL31196972 | 0.70 | THRB (0.38) | CYP1A2HIF1ATHRBBRD4 | |
| SCHEMBL9567770 | 0.67 | CYP1A2 (0.31) | CYP1A2HIF1ATHRB | |
| SCHEMBL9730177 | 0.65 | ALDH1A1 (0.46) | CYP1A2HIF1ABRD4 | |
| SCHEMBL10869465 | 0.64 | KDM4E (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272201-B1 | STEREOSPECIFIC KETOREDUCTION OF BICYCLOOCTANEDIONE-CARBOXYLIC-ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-07-08 | — | — | EP | disclosed |
| EP-0272201-A1 | Stereospecific ketoreduction of bicyclooctanedione-carboxylic-acid esters by microorganisms | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-06-22 | — | — | EP | disclosed |
| WO-1988003568-A1 | STEREOSPECIFIC KETO-REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-05-19 | — | — | WO | disclosed |