Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14536447 | 1.00 | KDM4E (0.35) | KDM4ETDP1CHRM5ADRA2CACHE | |
| SCHEMBL19723150 | 0.83 | KDM4E (0.37) | KDM4ETDP1CHRM5ADRA2CACHE | |
| SCHEMBL12793873 | 0.82 | POLB (0.34) | KDM4ESIGMAR1DRD2DRD3MEN1 | |
| SCHEMBL12793878 | 0.82 | POLB (0.34) | KDM4ESIGMAR1DRD2DRD3MEN1 | |
| SCHEMBL15685757 | 0.82 | POLB (0.34) | KDM4ESIGMAR1DRD2DRD3MEN1 | |
| SCHEMBL16385349 | 0.82 | KDM4E (0.35) | KDM4ETDP1CHRM5ADRA2CACHE | |
| SCHEMBL12792484 | 0.81 | KMT2A (0.41) | KDM4EACHESIGMAR1KMT2A | |
| SCHEMBL12792483 | 0.81 | KMT2A (0.41) | KDM4EACHESIGMAR1KMT2A | |
| SCHEMBL2621572 | 0.81 | POLB (0.36) | KDM4ETDP1CHRM5ADRA2CACHE | |
| SCHEMBL2842528 | 0.81 | ACHE (0.47) | CHRM5ADRA2CACHE |
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-2560967-B1 | Heterocyclic carboxylic acid amides as PDK1 inihibitors | BOEHRINGER INGELHEIM INT (DE) | 2017-12-20 | — | — | EP | disclosed |