Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | FKBP1A | P62942 | 9/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | PREP | P48147 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6438375 | 1.00 | KCNH2 (0.63) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2010759 | 1.00 | KCNH2 (0.63) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2010758 | 1.00 | KCNH2 (0.63) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7428228 | 1.00 | KCNH2 (0.63) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2010756 | 1.00 | KCNH2 (0.63) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1995962 | 0.92 | CYP3A4 (0.56) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1995966 | 0.92 | CYP3A4 (0.56) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1995964 | 0.92 | CYP3A4 (0.56) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18620864 | 0.92 | CYP3A4 (0.68) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1991961 | 0.90 | CTSL (0.55) | KCNH2FKBP1ACYP3A4CYP2C9CYP2C19 |
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-2513113-A1 | 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075615-A1 | 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2011-06-23 | — | — | WO | disclosed |