Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL14586235 | 1.00 | CTSB (0.44) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL13630519 | 0.91 | CYP3A4 (0.45) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL7876311 | 0.91 | CTSB (0.45) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL13617081 | 0.90 | CTSB (0.51) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL8306142 | 0.90 | CYP3A4 (0.47) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL5563198 | 0.90 | CYP3A4 (0.47) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| SCHEMBL5563205 | 0.90 | CYP3A4 (0.47) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| Hydrochloric Acid SCHEMBL2799014 | 0.90 | CTSB (0.43) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| Hydrochloric Acid SCHEMBL2799024 | 0.90 | CTSB (0.43) | CTSBCYP3A4CTSSADRB3ADRA2B | |
| Hydrochloric Acid SCHEMBL3067452 | 0.89 | CTSB (0.47) | CTSBCYP3A4CTSSADRB3ADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1629000-A4 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-29 | — | — | EP | disclosed |
| EP-1629000-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |