Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL474732 | 1.00 | KCNH2 (0.48) | KCNH2MAOAMAOBSLC2A1CYP2C9 | |
| SCHEMBL474772 | 0.93 | KCNH2 (0.49) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL27966125 | 0.93 | KCNH2 (0.49) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL30065583 | 0.93 | KCNH2 (0.49) | KCNH2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16291042 | 0.90 | KCNH2 (0.56) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20952269 | 0.90 | KCNH2 (0.46) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL16291015 | 0.90 | KCNH2 (0.56) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20952287 | 0.90 | KCNH2 (0.56) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL16291016 | 0.90 | KCNH2 (0.56) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL895411 | 0.90 | KCNH2 (0.46) | KCNH2SLC2A1CYP2C9CYP2C19CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103880862-A | Inhibitors Of Hepatitis C Virus Replication | MERCK SHARP & DOHME | 2014-06-25 | — | — | CN | claimed |