Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13336904 | 1.00 | CTSS (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL1636582 | 1.00 | CTSS (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL7936511 | 1.00 | CTSS (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL1636580 | 1.00 | CTSS (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL13336980 | 0.93 | ADORA3 (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL8124589 | 0.92 | ADORA3 (0.42) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL13336979 | 0.90 | CTSS (0.36) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL13336989 | 0.90 | CYP3A4 (0.44) | CTSSCYP3A4 | |
| SCHEMBL3756681 | 0.89 | ADORA3 (0.40) | CTSSADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL3756690 | 0.89 | ADORA3 (0.40) | CTSSADORA3CHRM1TBXA2RPTGS1 |
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-2185524-A1 | NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2008141227-A1 | NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-11-20 | — | — | WO | disclosed |