Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 14/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16855041 | 1.00 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3719232 | 0.89 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8176917 | 0.89 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4058903 | 0.89 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9442153 | 0.88 | CTSK (0.50) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9442147 | 0.88 | CTSK (0.50) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16328959 | 0.86 | CTSK (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16552413 | 0.86 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17195659 | 0.86 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17195650 | 0.86 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015158913-A1 | NOVEL ANTIVIRAL AND ANTITUMORAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015030106-A1 | COMPOUND HAVING GGT INHIBITORY EFFECT, AND GGT-FAMILY ENZYME INHIBITOR | 国立大学法人京都大学 (JP) | 2015-03-05 | — | — | WO | disclosed |