Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10432526 | 0.84 | KDM4E (0.57) | KDM4EHSD17B10ALDH1A1MAPT | |
| SCHEMBL18060545 | 0.83 | CYP1A2 (0.50) | KMOKDM4EPIN1KDM5AKDM4C | |
| SCHEMBL15189691 | 0.83 | RORB (0.44) | KMOKDM4ECTSAHCRTR2PIN1 | |
| SCHEMBL16612844 | 0.82 | MCL1 (0.38) | KDM4EHCRTR2LMNAALDH1A1MAPT | |
| SCHEMBL1338215 | 0.78 | KDM4E (0.69) | KMOKDM4ECTSAHCRTR2PIN1 | |
| SCHEMBL10432895 | 0.76 | KMO (0.43) | KMOKDM4E | |
| SCHEMBL10432300 | 0.76 | KMO (0.40) | KMOKDM4EKDM5AKDM4CKDM5B | |
| SCHEMBL14631930 | 0.76 | ALDH1A1 (0.45) | KMOKDM4EPIN1HSD17B10CDK5 | |
| SCHEMBL1338832 | 0.75 | HSD17B10 (0.49) | KDM4EHCRTR2HSD17B10LMNAALDH1A1 | |
| SCHEMBL13616808 | 0.74 | ALDH1A1 (0.46) | HSD17B10CDK5MAPK14ALDH1A1 |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |