Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| SCHEMBL3693821 | 1.00 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL8305648 | 1.00 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL5564319 | 1.00 | CYP3A4 (0.46) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| Ether SCHEMBL3695176 | 0.92 | ADRB3 (0.47) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL8300307 | 0.92 | ADRB3 (0.50) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL3698151 | 0.92 | ADRB3 (0.50) | CYP3A4ADRB3ADRA2BADRA2CHCRTR1 | |
| SCHEMBL2800499 | 0.91 | ADRB3 (0.43) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL2800497 | 0.91 | ADRB3 (0.43) | CYP3A4ADRB3ADRA2BADRA2C | |
| SCHEMBL3067823 | 0.91 | ADRB3 (0.45) | CYP3A4ADRB3ADRA2BADRA2CBACE1 | |
| SCHEMBL3067828 | 0.91 | ADRB3 (0.45) | CYP3A4ADRB3ADRA2BADRA2CBACE1 |
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 3 patents. 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 |
| US-20060257980-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY | 2006-11-16 | — | — | US | disclosed |
| US-20050090432-A1 | Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus | BRISTOL-MYERS SQUIBB COMPANY | 2005-04-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050090432-A1 | Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus | VIP, QPCT, HCCS | CYP3A4 2273/4885ADRB3 4404/4885ADRA2B 3908/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.