Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.58 |
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10060801 | 1.00 | ADRB3 (0.58) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL16508687 | 0.95 | ADRB3 (0.57) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL6875355 | 0.95 | ADRB3 (0.52) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL16508725 | 0.95 | ADRB3 (0.52) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL16508710 | 0.94 | ADRB3 (0.52) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL6875218 | 0.93 | ADRB3 (0.57) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL10060798 | 0.93 | ADRB3 (0.57) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL16508679 | 0.93 | ADRB3 (0.55) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL6877988 | 0.93 | ADRB3 (0.55) | ADRB3ADRA2BADRA2CCTSSCTSB | |
| SCHEMBL12629383 | 0.92 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCTSSCTSB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011063501-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-03 | — | — | WO | disclosed |
| WO-2011063502-A1 | HEPATITIS C INHIBITOR COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-03 | — | — | WO | disclosed |