Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 12/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7187229 | 0.87 | CTSS (0.43) | CTSSCTSLCTSBCTSKCYP3A4 | |
| SCHEMBL6063897 | 0.87 | KMT2A (0.45) | CTSSCTSLCTSBCTSKCYP3A4 | |
| SCHEMBL6468436 | 0.80 | CTSS (0.44) | CTSSCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL5413826 | 0.80 | CTSS (0.46) | CTSSCYP3A4CYP2C9 | |
| SCHEMBL6462867 | 0.78 | CTSS (0.41) | CTSSCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL6463186 | 0.77 | CTSS (0.50) | CTSSCTSLCTSBCTSKCYP3A4 | |
| SCHEMBL6466909 | 0.77 | DAGLA (0.56) | CTSSCTSLCTSBCTSKCYP3A4 | |
| SCHEMBL6466589 | 0.77 | DAGLA (0.56) | CTSSCTSLCTSBCTSKCYP3A4 | |
| SCHEMBL6464424 | 0.77 | CTSS (0.43) | CTSSCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL7049521 | 0.77 | CTSS (0.46) | CTSSCTSLCTSBCTSKCYP3A4 |
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-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |