Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 8/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2726957 | 0.87 | CTSK (0.43) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL21284248 | 0.87 | CTSK (0.43) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7433111 | 0.84 | CTSK (0.49) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL18234094 | 0.84 | CYP1A2 (0.43) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL18614278 | 0.82 | CTSS (0.48) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL355405 | 0.82 | CTSS (0.48) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL1515640 | 0.82 | CTSS (0.48) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL7440796 | 0.82 | CTSK (0.64) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL7436561 | 0.82 | CTSK (0.47) | CTSKCYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL31023450 | 0.80 | CTSS (0.43) | CTSKCYP1A2CYP2C9CYP2C19HTT |
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-6187905-B1 | PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES | HOFFMANN-LA ROCHE INC. | 2001-02-13 | — | — | US | disclosed |