Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 13/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 12/20 | 0.55 |
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
| ▸ | PRKCB | P05771 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | PRKCH | P24723 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.42 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.42 |
| ▸ | PRKCZ | Q05513 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1571384 | 0.78 | MKNK1 (0.55) | MKNK1MKNK2CYP2A6 | |
| SCHEMBL29575496 | 0.78 | MKNK1 (0.55) | MKNK1MKNK2CYP2A6 | |
| SCHEMBL12498499 | 0.77 | CYP2A6 (0.51) | MKNK1MKNK2CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL233227 | 0.77 | MKNK1 (0.53) | MKNK1MKNK2IKBKBABCB1ABCC1 | |
| SCHEMBL30843888 | 0.75 | MKNK1 (0.69) | MKNK1MKNK2CYP11B1CYP11B2ABCB1 | |
| SCHEMBL30702237 | 0.73 | MKNK1 (0.59) | MKNK1MKNK2CYP2A6 | |
| SCHEMBL30702229 | 0.73 | MKNK1 (0.59) | MKNK1MKNK2CYP2A6 | |
| SCHEMBL2116017 | 0.72 | MKNK1 (0.45) | MKNK1MKNK2IKBKBMAPK1 | |
| SCHEMBL2228105 | 0.72 | MKNK1 (0.54) | MKNK1MKNK2IKBKBCYP2A6PRKCI | |
| SCHEMBL30668220 | 0.72 | MKNK1 (0.54) | MKNK1MKNK2IKBKBCYP2A6PRKCI |
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 |
|---|---|---|---|---|---|---|---|
| CN-113444038-B | 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof | 新乡医学院 | 2022-09-27 | — | — | CN | disclosed |