Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.30 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.30 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17813643 | 0.75 | PKM (0.39) | HCAR3CTSKMEN1KMT2AOPRK1 | |
| SCHEMBL25400204 | 0.68 | KCNJ3 (0.45) | HCAR3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL24906211 | 0.66 | PKM (0.46) | CTSKMEN1KMT2AKCNJ6KCNJ5 | |
| SCHEMBL29058235 | 0.66 | KMO (0.45) | PDK1PDK2HCAR3MAPK13MAPK12 | |
| SCHEMBL9682398 | 0.65 | KCNJ3 (0.43) | HCAR3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL8556538 | 0.65 | HPGD (0.39) | CTSKPDE7AMEN1KMT2A | |
| SCHEMBL26976603 | 0.65 | HCAR3 (0.35) | PDK1PDK2HCAR3MAPK13MAPK12 | |
| Hydrochloric Acid SCHEMBL9681843 | 0.64 | KCNJ3 (0.42) | HCAR3KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL950587 | 0.64 | NR3C2 (0.46) | HCAR3MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14542642 | 0.64 | HCAR3 (0.40) | HCAR3MAPK13MAPK12MAPK11MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016088813-A1 | NOVEL DIAZABICYCLO[2.2.2]OCTANE DERIVATIVE | 持田製薬株式会社 | 2016-06-09 | — | — | WO | disclosed |