Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3624949 | 0.94 | CYP3A4 (0.40) | CYP3A4ELANEKCNH2CTSBPPP3CB | |
| SCHEMBL731547 | 0.94 | CYP3A4 (0.39) | CYP3A4ELANEKCNH2CTSBPPP3CB | |
| SCHEMBL10081455 | 0.91 | CYP3A4 (0.37) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL1243486 | 0.89 | CYP3A4 (0.37) | CYP3A4ELANEKCNH2CTSB | |
| SCHEMBL1244279 | 0.88 | CYP3A4 (0.37) | CYP3A4ELANEKCNH2CTSBPPP3CB | |
| SCHEMBL3618649 | 0.87 | CYP3A4 (0.40) | CYP3A4ELANEKCNH2CTSBPPP3CB | |
| SCHEMBL8195028 | 0.84 | CYP3A4 (0.36) | CYP3A4ELANEKCNH2PDE4APDE4B | |
| SCHEMBL733230 | 0.83 | CYP3A4 (0.33) | CYP3A4ELANEKCNH2 | |
| SCHEMBL14562633 | 0.82 | CYP3A4 (0.38) | CYP3A4ELANEKCNH2CTSBPPP3CB | |
| SCHEMBL14562561 | 0.81 | CYP3A4 (0.38) | CYP3A4ELANEKCNH2CTSBPPP3CB |
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-2079479-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| US-8138164-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2012-03-20 | — | — | US | disclosed |