Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 7/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10299121 | 0.90 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL5987813 | 0.90 | KCNH2 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3269632 | 0.89 | ELANE (0.44) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL3268486 | 0.89 | ELANE (0.44) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18913820 | 0.86 | ACE (0.50) | KCNH2F2 | |
| SCHEMBL21641823 | 0.86 | ACE (0.50) | KCNH2F2 | |
| SCHEMBL21641824 | 0.86 | ACE (0.50) | KCNH2F2 | |
| SCHEMBL12292177 | 0.86 | XIAP (0.48) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18932131 | 0.86 | FKBP5 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL18931712 | 0.86 | FKBP5 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-2628481-A1 | Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV | AbbVie Bahamas Ltd. (BS) | 2013-08-21 | — | — | EP | disclosed |
| EP-2455376-A1 | Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |