Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL6916566 | 0.88 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL28052734 | 0.84 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL20530486 | 0.73 | — | — | |
| SCHEMBL3883603 | 0.71 | SLC6A4 (0.30) | — | |
| SCHEMBL2895673 | 0.71 | SLC6A4 (0.30) | — | |
| Hydrogen Peroxide SCHEMBL17420814 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL10741712 | 0.67 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL11677848 | 0.67 | — | — | |
| SCHEMBL6581142 | 0.66 | — | — | |
| SCHEMBL10486984 | 0.66 | KDM4E (0.31) | — |
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-2509935-B1 | METHOD FOR ISOMERIZING A SATURATED, BRANCHED, AND CYCLICAL HYDROCARBON | BASF SE (DE) | 2013-10-16 | — | — | EP | disclosed |