Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | S100A4 | P26447 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL338460 | 0.89 | GAA (0.59) | GAAALDH1A1TDP1CYP2C19MAPT | |
| Water SCHEMBL8615480 | 0.87 | GAA (0.56) | GAAALDH1A1TDP1CYP2C19MAPT | |
| SCHEMBL338045 | 0.87 | GAA (0.62) | GAAALDH1A1TDP1CYP2C19MAPT | |
| SCHEMBL3818642 | 0.84 | GAA (0.59) | GAAALDH1A1TDP1CYP2C19MAPT | |
| SCHEMBL6551463 | 0.84 | GAA (0.59) | GAAALDH1A1TDP1CYP2C19MAPT | |
| Thiocyanic Acid SCHEMBL5847151 | 0.79 | ALDH1A1 (0.49) | GAAALDH1A1TDP1CYP2C19MAPT | |
| Thiocyanic Acid SCHEMBL8512493 | 0.79 | GAA (0.43) | GAAALDH1A1TDP1CYP2C19MAPT | |
| P-Xylene SCHEMBL10339754 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP2C19MAPTCYP3A4 | |
| P-Xylene SCHEMBL10339755 | 0.76 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP2C19MAPTCYP3A4 | |
| SCHEMBL118977 | 0.71 | GAA (0.54) | GAAALDH1A1TDP1CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5998528-A | CHELATE COMPOUNDS | AMCOL INTERNATIONAL CORPORATION (US) | 1999-12-07 | — | — | US | disclosed |