Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | KCNQ4 | P56696 | 4/20 | 0.47 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18600155 | 0.80 | PYCR1 (0.53) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL15996890 | 0.79 | CYP1A2 (0.72) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL18575368 | 0.79 | KCNQ4 (0.59) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL15997126 | 0.79 | KCNQ4 (0.53) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL18575369 | 0.78 | ALDH1A1 (0.61) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL18600345 | 0.76 | CYP1A2 (0.59) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL18600161 | 0.75 | CYP1A2 (0.58) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL30494445 | 0.74 | KCNQ4 (0.60) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL15996884 | 0.74 | KCNQ4 (0.78) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 | |
| SCHEMBL20159076 | 0.73 | KCNQ4 (0.56) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5 |
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-B1 | NOVEL KCNQ POTASSIUM CHANNEL AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2021-11-03 | — | — | EP | disclosed |