Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 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 | |
|---|---|---|---|---|
| SCHEMBL3051904 | 0.94 | CTSL (0.46) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL13245760 | 0.94 | CTSL (0.46) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3051377 | 0.85 | CTSL (0.47) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL10077634 | 0.85 | CTSL (0.47) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9732240 | 0.83 | ACE (0.51) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL12237103 | 0.79 | CTSL (0.47) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9256682 | 0.79 | CTSL (0.54) | CTSLACEMEN1KMT2AUSP2 | |
| SCHEMBL29771972 | 0.79 | CTSL (0.54) | CTSLADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL14350234 | 0.78 | HTRA1 (0.39) | CTSLACEMEN1KMT2AUSP2 | |
| SCHEMBL10076845 | 0.78 | HTRA1 (0.39) | CTSLACEMEN1KMT2AUSP2 |
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-1497282-A2 | INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4 PROTEASE | Vertex Pharmaceuticals Incorporated (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003087092-A2 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 - NS4 PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-10-23 | — | — | WO | disclosed |