Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | CTSB | P07858 | 2/20 | 0.55 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8339445 | 1.00 | ADRB3 (0.65) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8336599 | 0.96 | ADRB3 (0.66) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8335918 | 0.96 | ADRB3 (0.66) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8344852 | 0.95 | ADRB3 (0.64) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL13224038 | 0.93 | ADRB3 (0.69) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL12154816 | 0.93 | ADRB3 (0.69) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL16316178 | 0.93 | ADRB3 (0.69) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8337616 | 0.93 | ADRB3 (0.65) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8344579 | 0.93 | ADRB3 (0.65) | ADRB3ADRA2BADRA2CCTSBCTSS | |
| SCHEMBL8335934 | 0.93 | ADRB3 (0.65) | ADRB3ADRA2BADRA2CCTSBCTSS |
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-7504378-B2 | Macrocyclic peptides active against the hepatitis C virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-17 | — | — | US | disclosed |
| US-7504378-B2 | Macrocyclic peptides active against the hepatitis C virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-17 | — | — | US | disclosed |