Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 5/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.33 |
| ▸ | CASP1 | P29466 | 3/20 | 0.33 |
| ▸ | CASP7 | P55210 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1993804 | 0.75 | KDM4E (0.57) | ALDH1A1KDM4EPOLBBCAT1HSD17B10 | |
| SCHEMBL1654944 | 0.72 | PDE4A (0.32) | ALDH1A1KDM4EPOLBALOX15HSD17B10 | |
| SCHEMBL1653524 | 0.72 | TDP1 (0.43) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL13224394 | 0.72 | PDE4A (0.32) | ALDH1A1KDM4EPOLBALOX15HSD17B10 | |
| SCHEMBL13169635 | 0.72 | GPR3 (0.55) | ALDH1A1KDM4EPOLBHSD17B10HPGD | |
| SCHEMBL14629299 | 0.68 | — | — | |
| SCHEMBL13444590 | 0.68 | POLB (0.43) | ALDH1A1KDM4EPOLBALOX15HSD17B10 | |
| SCHEMBL8272972 | 0.68 | PDE4A (0.33) | ALDH1A1KDM4EPOLBALOX15HSD17B10 | |
| SCHEMBL8135245 | 0.68 | ALDH1A1 (0.48) | ALDH1A1KDM4EPOLBHPGDKMT2A | |
| SCHEMBL31143803 | 0.67 | MAPT (0.53) | ALDH1A1KDM4EPOLBHSD17B10HPGD |
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-1739081-A1 | HYDRAZINO-SUBSTITUTED HETEROCYCLIC NITRILE COMPOUNDS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-03 | — | — | EP | disclosed |