Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 7/20 | 0.48 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7430468 | 0.86 | PPARG (0.55) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL245191 | 0.81 | CTSK (0.68) | CTSKCTSS | |
| SCHEMBL8138631 | 0.81 | CTSK (0.68) | CTSKCTSS | |
| SCHEMBL23117326 | 0.81 | PPARG (0.53) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7757488 | 0.81 | PPARG (0.53) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7425266 | 0.81 | PPARA (0.56) | CTSKCTSSMMP13PPARGPPARA | |
| SCHEMBL7442057 | 0.80 | JAK3 (0.47) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL8142516 | 0.79 | CTSK (0.61) | CTSKCTSS | |
| SCHEMBL8140278 | 0.78 | CTSK (0.67) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL7424230 | 0.78 | CTSK (0.65) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6018020-A | VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G | HOFFMAN-LA ROCHE INC. (US) | 2000-01-25 | — | — | US | disclosed |
| EP-0941233-A2 | ANTIVIRAL PEPTIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-09-15 | — | — | EP | disclosed |
| US-5866684-A | Peptidyl inhibitors of viral proteases | HOFFMANN-LA ROCHE INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1998022496-A2 | ANTIVIRAL PEPTIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-05-28 | — | — | WO | disclosed |