Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14049430 | 0.94 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL8286046 | 0.89 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL14031104 | 0.84 | ADRB3 (0.48) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL13915584 | 0.84 | ADRB3 (0.48) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL14049427 | 0.83 | ADRB3 (0.51) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL7873894 | 0.82 | CTSB (0.58) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL14049482 | 0.78 | ADRB3 (0.46) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL7865997 | 0.77 | ADRB3 (0.43) | ADRB3ADRA2BADRA2CCTSBCYP3A4 | |
| SCHEMBL14049100 | 0.77 | CTSB (0.34) | ADRB3ADRA2BADRA2CCTSB | |
| SCHEMBL8286931 | 0.77 | CTSB (0.34) | ADRB3ADRA2BADRA2CCTSB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005051980-A1 | DEPEPTIDIZED INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | SCHERING CORPORATION (US) | 2005-06-09 | — | — | WO | disclosed |