Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.67 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.67 |
| ▸ | KCNQ4 | P56696 | 4/20 | 0.61 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.58 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | GFER | P55789 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18600154 | 0.92 | CYP1A2 (0.78) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL16233333 | 0.84 | KCNQ4 (0.86) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL15996913 | 0.83 | KCNQ4 (0.82) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL15996918 | 0.82 | KCNQ4 (0.70) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL19700153 | 0.81 | KCNQ2 (0.87) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL15996931 | 0.81 | KCNQ2 (0.83) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL16233329 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL18600189 | 0.81 | KCNQ4 (0.68) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL18575306 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 | |
| SCHEMBL15996895 | 0.80 | KCNQ4 (0.70) | CYP1A2CYP2C8CYP2B6KCNQ4KCNQ2 |
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 |