Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 10/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.41 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | CTSL | P07711 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5795015 | 0.86 | CTSK (0.44) | CTSKCTSLCTSSCTSB | |
| Trifluoroacetic Acid SCHEMBL5793233 | 0.83 | CTSK (0.40) | HRH4HRH3CTSKCTSLCTSS | |
| SCHEMBL8270735 | 0.78 | CTSK (0.43) | CTSKCTSLCTSSDRD4CTSD | |
| SCHEMBL5793222 | 0.75 | CTSK (0.41) | HRH4HRH3CTSKCTSLCTSS | |
| Trifluoroacetic Acid SCHEMBL5794574 | 0.74 | CTSK (0.48) | HRH4HRH3CTSKCTSLCTSS | |
| Trifluoroacetic Acid SCHEMBL5804566 | 0.74 | CTSK (0.46) | HRH4HRH3CTSKCTSLCTSS | |
| Trifluoroacetic Acid SCHEMBL5794976 | 0.73 | ALDH1A1 (0.43) | HRH3 | |
| Trifluoroacetic Acid SCHEMBL5791240 | 0.70 | CTSK (0.57) | CTSKCTSLCTSSCTSB | |
| Trifluoroacetic Acid SCHEMBL5791220 | 0.69 | CTSK (0.46) | CTSKL3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL5821153 | 0.69 | MEN1 (0.36) | CTSK |
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-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |