Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7133047 | 1.00 | ALDH1A1 (0.39) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| SCHEMBL2490299 | 0.81 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL9952712 | 0.66 | ALDH1A1 (0.67) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Hydrochloric Acid SCHEMBL18886770 | 0.66 | ALDH1A1 (0.67) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Sulfuric Acid SCHEMBL26881 | 0.65 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Sulfuric Acid SCHEMBL8345264 | 0.65 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Sulfuric Acid SCHEMBL2466226 | 0.65 | CYP2D6 (0.71) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Water SCHEMBL11529481 | 0.65 | ALDH1A1 (0.88) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Water SCHEMBL9768915 | 0.65 | ALDH1A1 (0.88) | ALDH1A1CYP3A4MAPTCYP2D6 | |
| Water SCHEMBL9768923 | 0.65 | ALDH1A1 (0.88) | ALDH1A1CYP3A4MAPTCYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6576159-B1 | Colorants, electroconductive materials; solubility, dissociation | HYDRO-QUEBEC | 2003-06-10 | — | — | US | disclosed |
| US-20030066988-A1 | Malononitrile-derivative anion salts, and their uses as ionic conducting materials | MICHOT CHRISTOPHE (FR) | 2003-04-10 | — | — | US | disclosed |
| US-6333425-B1 | IONIC COMPOUNDS DERIVED FROM MALONONITRILE IN WHICH ANIONIC CHARGE IS DELOCALIZED; EXCELLENT PROPERTIES OF SOLUBILITY AND DISSOCIATION | HYDRO-QUEBEC (CA) | 2001-12-25 | — | — | US | disclosed |