Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL14586199 | 1.00 | CYP3A4 (0.48) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL8300307 | 0.95 | ADRB3 (0.50) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL3698151 | 0.95 | ADRB3 (0.50) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| Ether SCHEMBL3695176 | 0.92 | ADRB3 (0.47) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL8305648 | 0.87 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL3693821 | 0.87 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL5564319 | 0.87 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL5564314 | 0.87 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL13757833 | 0.87 | CYP3A4 (0.40) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL3701675 | 0.87 | CYP3A4 (0.50) | CYP3A4ADRB3ADRA2BADRA2CCTSB |
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 |