Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.56 |
| ▸ | CTSL | P07711 | 3/20 | 0.53 |
| ▸ | CTSS | P25774 | 3/20 | 0.53 |
| ▸ | CTSB | P07858 | 2/20 | 0.53 |
| ▸ | CTSK | P43235 | 2/20 | 0.53 |
| ▸ | REN | P00797 | 6/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.45 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.42 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8418512 | 0.77 | REN (0.65) | CTSLCTSSCTSBCTSKREN | |
| SCHEMBL6376555 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL6296452 | 0.74 | AAK1 (0.74) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL7403265 | 0.73 | EPHX2 (0.49) | — | |
| SCHEMBL22522212 | 0.72 | CTSL (0.54) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL29462332 | 0.72 | CTSL (0.54) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL30146896 | 0.72 | CTSS (0.51) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL17515973 | 0.72 | AAK1 (1.00) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL19328184 | 0.72 | AAK1 (1.00) | AAK1CTSLCTSSCTSBCTSK | |
| SCHEMBL9787700 | 0.71 | CTSS (0.69) | AAK1CTSLCTSSCTSBCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-1413210-A | Non-peptidyl inhibitors of VLA-4 dependent cell binding for the treatment of inflammation, autoimmune diseases and respiratory diseases | PFIZER PROD INC (US) | 2003-04-23 | — | — | CN | disclosed |