Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | LTK | P29376 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3229381 | 0.80 | KDM4E (0.63) | KDM4EALDH1A1GAAPIM3DAPK3 | |
| SCHEMBL7374137 | 0.79 | KDM4E (0.58) | KDM4EALDH1A1GAAPIM3DAPK3 | |
| Hydrochloric Acid SCHEMBL5010808 | 0.79 | KDM4E (0.61) | KDM4EALDH1A1GAAPIM3DAPK3 | |
| SCHEMBL335081 | 0.74 | KDM4E (0.60) | KDM4EALDH1A1GAAL3MBTL1TSHR | |
| SCHEMBL1335845 | 0.74 | KDM4E (0.60) | KDM4EALDH1A1GAAL3MBTL1TSHR | |
| Hydrochloric Acid SCHEMBL10341079 | 0.72 | KDM4E (0.58) | KDM4EALDH1A1GAAL3MBTL1TSHR | |
| SCHEMBL21791535 | 0.72 | KDM4E (0.53) | KDM4EALDH1A1GAAPIM3DAPK3 | |
| SCHEMBL15774159 | 0.72 | KDM4E (0.58) | KDM4EALDH1A1GAAL3MBTL1TSHR | |
| SCHEMBL4205499 | 0.72 | KDM4E (0.58) | KDM4EALDH1A1GAAL3MBTL1TSHR | |
| SCHEMBL3983003 | 0.71 | KDM4E (0.56) | KDM4EALDH1A1GAAL3MBTL1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | claimed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | claimed |
| WO-2010058353-A1 | NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2010-05-27 | — | — | WO | disclosed |
| WO-2009141782-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-26 | — | — | WO | disclosed |