Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.52 |
| ▸ | CTSS | P25774 | 4/20 | 0.46 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSB | P07858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25286879 | 0.84 | CTSK (0.66) | CTSKCTSSCTSLCTSB | |
| SCHEMBL2180830 | 0.81 | CTSK (0.58) | CTSKCTSSCTSLCTSB | |
| SCHEMBL2180828 | 0.81 | CTSK (0.58) | CTSKCTSSCTSLCTSB | |
| SCHEMBL3447885 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FOLH1 | |
| SCHEMBL628966 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FOLH1 | |
| SCHEMBL628967 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FOLH1 | |
| SCHEMBL2228461 | 0.79 | CTSK (0.44) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL2228465 | 0.79 | CTSK (0.44) | CTSKCTSSCTSLCTSBALDH1A1 | |
| SCHEMBL25284323 | 0.78 | CTSK (0.85) | CTSKCTSSCTSLCTSB | |
| SCHEMBL25242881 | 0.78 | CTSK (0.85) | CTSKCTSSCTSLCTSB |
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-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |