Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3310240 | 0.93 | CTSB (0.42) | CTSBCTSSHTR3EHTR3BHTR3A | |
| SCHEMBL3309948 | 0.92 | CTSB (0.45) | CTSBCTSSSLC6A2SLC6A4KCNH2 | |
| SCHEMBL3307886 | 0.91 | CTSB (0.42) | CTSBFFAR4P2RY12ALDH1A1MAPK1 | |
| SCHEMBL3315190 | 0.86 | CTSB (0.45) | CTSBCTSSADORA3ALDH1A1MAPK1 | |
| SCHEMBL3309641 | 0.86 | CTSB (0.45) | CTSBCTSSALDH1A1MAPK1 | |
| SCHEMBL3309557 | 0.84 | CTSB (0.43) | CTSBCTSSFFAR4P2RY12ALDH1A1 | |
| SCHEMBL3308309 | 0.83 | CTSB (0.38) | CTSBCTSS | |
| SCHEMBL3311257 | 0.82 | CTSB (0.43) | CTSBCTSS | |
| SCHEMBL13330935 | 0.81 | CTSB (0.58) | CTSBCTSS | |
| SCHEMBL3306766 | 0.81 | CTSB (0.58) | CTSBCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-2118091-B1 | PYRIMIDINE SUBSTITUTED MACROCYCLIC HCV INHIBITORS | JANSSEN SCIENCES IRELAND UC (IE) | 2015-04-15 | — | — | EP | disclosed |