Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL15665250 | 0.80 | PARP1 (0.36) | PARP1DAO | |
| SCHEMBL1536439 | 0.80 | LMNA (0.41) | PARP1DAO | |
| SCHEMBL8277400 | 0.80 | PDE3B (0.38) | PDE3BPDE3APARP1 | |
| SCHEMBL8272974 | 0.80 | PARP1 (0.30) | PARP1 | |
| SCHEMBL7822600 | 0.80 | ATM (0.35) | PARP1 | |
| SCHEMBL8272975 | 0.78 | ADRA2A (0.42) | CYP2A6PDE3BPDE3APKMMAOA | |
| SCHEMBL8271695 | 0.77 | SMN1; SMN2 (0.36) | PARP1 | |
| SCHEMBL13409371 | 0.76 | LRRK2 (0.34) | — | |
| SCHEMBL15178727 | 0.75 | PDE10A (0.34) | BRD4 | |
| SCHEMBL8277403 | 0.73 | DRD1 (0.39) | CYP2A6PDE3BPDE3APKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |