Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 4/20 | 0.53 |
| ▸ | KCNQ4 | P56696 | 4/20 | 0.52 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15997126 | 0.87 | KCNQ4 (0.53) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL30494445 | 0.82 | KCNQ4 (0.60) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL15996890 | 0.82 | CYP1A2 (0.72) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL18575368 | 0.82 | KCNQ4 (0.59) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL20159076 | 0.81 | KCNQ4 (0.56) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL15996915 | 0.81 | PYCR1 (0.53) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL23969465 | 0.80 | CYP1A2 (0.49) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL18600341 | 0.80 | KCNQ4 (0.55) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL18600345 | 0.79 | CYP1A2 (0.59) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 | |
| SCHEMBL18575369 | 0.79 | ALDH1A1 (0.61) | PYCR1KCNQ4KCNQ5CYP1A2CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3138833-A1 | NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2017-03-08 | — | — | EP | disclosed |