Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4439962 | 0.82 | MEN1 (0.34) | CTSSCTSK | |
| SCHEMBL4437901 | 0.79 | CTSS (0.34) | CTSSCTSK | |
| SCHEMBL5089186 | 0.77 | CETP (0.32) | CETPCTSSCTSK | |
| SCHEMBL3664036 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL5086382 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL3664940 | 0.70 | MCL1 (0.36) | CTSSCTSK | |
| SCHEMBL4437905 | 0.68 | AR (0.39) | CTSSCTSK | |
| SCHEMBL4428500 | 0.67 | CNR1 (0.32) | — | |
| SCHEMBL4439963 | 0.66 | IDO1 (0.38) | — | |
| SCHEMBL4608305 | 0.65 | RORC (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |