Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PTPRB | P23467 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL28098568 | 0.77 | SMN1; SMN2 (0.56) | CA12CA9HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL2089479 | 0.74 | NLRP3 (0.59) | NLRP3LCKHPGDALDH1A1LMNA | |
| SCHEMBL18600165 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP2C8CYP2B6ALDH1A1SMN1; SMN2 | |
| SCHEMBL18600164 | 0.71 | HPGD (0.44) | CYP1A2CYP2C8CYP2B6NLRP3LCK | |
| SCHEMBL31059176 | 0.71 | MAPT (0.54) | CYP1A2CYP2C8CYP2B6NLRP3LCK | |
| SCHEMBL16234657 | 0.71 | MAPT (0.44) | CYP1A2CYP2C8CYP2B6CA12CA9 | |
| SCHEMBL5184928 | 0.70 | CYP1A2 (0.44) | CYP1A2CYP2C8CYP2B6HPGDALDH1A1 | |
| SCHEMBL31738102 | 0.67 | KDM4E (0.37) | CYP1A2CA12CA9HPGDALDH1A1 | |
| SCHEMBL2096567 | 0.66 | NLRP3 (0.59) | CYP1A2NLRP3ALDH1A1LMNATSHR | |
| SCHEMBL11510151 | 0.66 | RAF1 (0.45) | CYP1A2CYP2C8CYP2B6NLRP3LCK |
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 |