Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.47 |
| ▸ | CNR1 | P21554 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 6/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18600540 | 0.83 | KCNQ4 (0.48) | CNR2CNR1TSHRCYP3A4 | |
| SCHEMBL2853713 | 0.82 | ALDH1A1 (0.53) | CNR2TSHRCYP3A4LMNAALDH1A1 | |
| SCHEMBL5909497 | 0.81 | CYP3A4 (0.67) | CNR2CNR1TSHRCYP3A4LMNA | |
| SCHEMBL27689884 | 0.76 | TSHR (0.75) | CNR2CNR1TSHRLMNAGRIA2 | |
| SCHEMBL93163 | 0.75 | CYP3A4 (0.56) | TSHRCYP3A4ALDH1A1MAPTMAPK1 | |
| SCHEMBL22340467 | 0.74 | CNR2 (0.51) | CNR2CNR1TSHRLMNAALDH1A1 | |
| Ether SCHEMBL596696 | 0.73 | CYP3A4 (0.47) | TSHRCYP3A4LMNAALDH1A1KDM4E | |
| SCHEMBL12069745 | 0.72 | MAPT (0.54) | CNR2CNR1TSHRCYP3A4LMNA | |
| SCHEMBL6984098 | 0.71 | ALDH1A1 (0.66) | CNR2CNR1TSHRCYP3A4LMNA | |
| SCHEMBL18600203 | 0.70 | PYCR1 (0.47) | — |
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 |