Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12819706 | 0.91 | EPHX2 (0.36) | EPHX2IDH1 | |
| SCHEMBL13431718 | 0.88 | ALDH1A1 (0.38) | EPHX2ALDH1A1HSD17B10IDH1 | |
| Hydrochloric Acid SCHEMBL3235396 | 0.85 | ALDH1A1 (0.36) | EPHX2ALDH1A1HSD17B10IDH1 | |
| SCHEMBL26254664 | 0.77 | EPHX2 (0.36) | EPHX2ALDH1A1HSD17B10IDH1 | |
| SCHEMBL999708 | 0.76 | ALDH1A1 (0.60) | EPHX2ALDH1A1HSD17B10IDH1 | |
| SCHEMBL26257045 | 0.76 | ALDH1A1 (0.60) | EPHX2ALDH1A1HSD17B10IDH1 | |
| SCHEMBL26254508 | 0.71 | EPHX2 (0.39) | EPHX2IDH1 | |
| SCHEMBL23573493 | 0.71 | EPHX2 (0.46) | EPHX2 | |
| SCHEMBL23573492 | 0.71 | EPHX2 (0.46) | EPHX2 | |
| SCHEMBL22536297 | 0.71 | ADH1B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |