Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 13/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL17277925 | 1.00 | CTSK (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13983158 | 0.88 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15457738 | 0.88 | CTSK (0.51) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16003150 | 0.88 | CTSK (0.62) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17715176 | 0.87 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17715163 | 0.87 | CTSK (0.52) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15786660 | 0.87 | CTSK (0.44) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15786662 | 0.87 | CTSK (0.44) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL646731 | 0.86 | CYP1A2 (0.59) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1199894 | 0.86 | CYP1A2 (0.48) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2262370-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Virobay, Inc. (US) | 2010-12-22 | — | — | EP | disclosed |
| WO-2009123623-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2009-10-08 | — | — | WO | disclosed |