Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | GLA | P06280 | 2/20 | 0.56 |
| ▸ | BCHE | P06276 | 5/20 | 0.54 |
| ▸ | ACHE | P22303 | 5/20 | 0.54 |
| ▸ | LCK | P06239 | 2/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | GRB2 | P62993 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.50 |
| ▸ | HSD17B3 | P37058 | 4/20 | 0.49 |
| ▸ | ERAP1 | Q9NZ08 | 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 | |
|---|---|---|---|---|
| SCHEMBL716590 | 0.99 | ALDH1A1 (0.57) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL715791 | 0.97 | ALDH1A1 (0.57) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL4211454 | 0.95 | ALDH1A1 (0.60) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL10001918 | 0.89 | ALDH1A1 (0.60) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL4206438 | 0.85 | ALDH1A1 (0.63) | ALDH1A1GAAKDM4EGLALCK | |
| SCHEMBL20767985 | 0.85 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EGLALCK | |
| SCHEMBL16656607 | 0.85 | ALDH1A1 (0.57) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL716585 | 0.84 | KDM4E (0.52) | ALDH1A1GAAKDM4EGLALCK | |
| SCHEMBL532562 | 0.84 | BCHE (0.60) | ALDH1A1GAAKDM4EGLABCHE | |
| SCHEMBL724773 | 0.84 | LCK (0.63) | ALDH1A1GAAKDM4EGLABCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012027612-A1 | MASS SPECTROMETRIC COMPOSITIONS AND METHODS FOR LYSOSOMAL STORAGE DISEASE SCREENING | GELB MICHAEL (US) | 2012-03-01 | — | — | WO | disclosed |