Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.32 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.30 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1101687 | 0.94 | CTSS (0.44) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL7936436 | 0.89 | CTSS (0.44) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL1101734 | 0.89 | CTSS (0.44) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL13337167 | 0.87 | CTSS (0.48) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL1101688 | 0.83 | CTSS (0.44) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL883040 | 0.83 | CTSS (0.43) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL12775112 | 0.82 | UCHL1 (0.38) | CTSSCTSBPPP3CBADRB3ADRA2B | |
| SCHEMBL14353637 | 0.82 | CTSS (0.49) | CTSSADRB3ADRA2BADRA2CSLC5A7 | |
| SCHEMBL313204 | 0.82 | UCHL1 (0.38) | CTSSCTSBPPP3CBABCC1ABCC2 | |
| SCHEMBL2213932 | 0.82 | UCHL1 (0.38) | CTSSCTSBPPP3CBABCC1ABCC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153800-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-10 | — | — | US | disclosed |
| US-8153800-B2 | Macrocyclic inhibitors of hepatitis C virus | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2012-04-10 | — | — | US | disclosed |