Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 4/20 | 0.50 |
| ▸ | KCNQ2 | O43526 | 4/20 | 0.50 |
| ▸ | KCNE1 | P15382 | 4/20 | 0.50 |
| ▸ | KCNQ1 | P51787 | 4/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | ATF1 | P18846 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | TYK2 | P29597 | 1/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.48 |
| ▸ | JUN | P05412 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1585024 | 0.96 | NFKB1 (0.52) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL28049179 | 0.95 | KCNQ3 (0.48) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL4966684 | 0.84 | NFKB1 (0.58) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL18235570 | 0.83 | PDPK1 (0.53) | NFKB1ATF1PDPK1JAK2JAK1 | |
| SCHEMBL24684142 | 0.83 | NFKB1 (0.51) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL17732818 | 0.81 | ALDH1A1 (0.41) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL29732883 | 0.80 | P2RX1 (0.60) | KCNQ3KCNQ2KCNE1KCNQ1P2RX1 | |
| SCHEMBL28789750 | 0.80 | P2RX1 (0.60) | KCNQ3KCNQ2KCNE1KCNQ1P2RX1 | |
| SCHEMBL5414532 | 0.80 | P2RX1 (0.64) | KCNQ3KCNQ2KCNE1KCNQ1NFKB1 | |
| SCHEMBL22435417 | 0.79 | CYP1A2 (0.50) | NFKB1ATF1JUNNFKB2RELA |
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-102665718-B | Heterocyclic compounds useful as PDK1 inhibitors | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-03-09 | — | — | CN | disclosed |