Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7710995 | 0.93 | CTSK (0.32) | CTSKCTSSCTSL | |
| SCHEMBL7708340 | 0.89 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7713259 | 0.82 | USP2 (0.39) | ALDH1A1 | |
| SCHEMBL7708245 | 0.81 | SMN1; SMN2 (0.31) | CTSKCTSSSMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7704951 | 0.79 | ESR1 (0.31) | — | |
| SCHEMBL7711367 | 0.77 | USP2 (0.38) | — | |
| SCHEMBL7711396 | 0.76 | CTSK (0.32) | CTSKCTSSCTSL | |
| SCHEMBL7704890 | 0.75 | CTSK (0.32) | CTSKCTSSCTSL | |
| SCHEMBL7708334 | 0.74 | ALDH1A1 (0.32) | CTSKCTSSSMN1; SMN2ALDH1A1 | |
| SCHEMBL7708015 | 0.73 | AAK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |