Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 4/20 | 0.32 |
| ▸ | JAK1 | P23458 | 4/20 | 0.32 |
| ▸ | JAK3 | P52333 | 4/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM5B | Q9UGL1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9901615 | 0.93 | ALDH1A1 (0.40) | ALDH1A1HSD17B10GSK3AGSK3BBTK | |
| SCHEMBL9902047 | 0.88 | MAPK1 (0.38) | ALDH1A1HSD17B10GSK3AGSK3BBTK | |
| SCHEMBL9901727 | 0.76 | SCN10A (0.38) | JAK2JAK1TYK2 | |
| SCHEMBL9901557 | 0.73 | CTSL (0.46) | ALDH1A1MAPK1SMN1; SMN2CTSLCTSB | |
| SCHEMBL9902968 | 0.69 | EPHX1 (0.41) | MAPK1KDM4ETSHRCTSLCTSB | |
| SCHEMBL9902117 | 0.68 | ALDH1A1 (0.46) | ALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL9902313 | 0.68 | SCN10A (0.39) | JAK2JAK1TYK2 | |
| SCHEMBL9901789 | 0.66 | TYK2 (0.45) | ALDH1A1HSD17B10GSK3AGSK3BSMYD3 | |
| SCHEMBL9901315 | 0.65 | ALDH1A1 (0.50) | ALDH1A1MAPK1SMN1; SMN2CTSLCTSB | |
| SCHEMBL6826283 | 0.64 | ALDH1A1 (0.50) | ALDH1A1HSD17B10GSK3AGSK3BMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2649048-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | Radikal Therapeutics Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012077108-A1 | MULTIFUNCTIONAL NITROXIDE DERIVATIVES AND USES THEREOF | RADIKAL THERAPEUTICS INC. (US) | 2012-06-14 | — | — | WO | disclosed |