Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14586229 | 0.92 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL8300307 | 0.88 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3698151 | 0.88 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL7813842 | 0.86 | ADRB3 (0.51) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| Ether SCHEMBL3695176 | 0.85 | ADRB3 (0.47) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3051715 | 0.84 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3051720 | 0.84 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL7813809 | 0.84 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3051718 | 0.84 | ADRB3 (0.49) | ADRB3ADRA2BADRA2CCYP3A4CTSB | |
| SCHEMBL3071527 | 0.84 | ADRB3 (0.50) | ADRB3ADRA2BADRA2CCYP3A4CTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-7173004-B2 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-06 | — | — | US | disclosed |