Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.63 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.63 |
| ▸ | GRB2 | P62993 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | GLA | P06280 | 2/20 | 0.61 |
| ▸ | CASP1 | P29466 | 1/20 | 0.61 |
| ▸ | CASP7 | P55210 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 5/20 | 0.61 |
| ▸ | ACHE | P22303 | 5/20 | 0.60 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.54 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL724773 | 1.00 | LCK (0.63) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL532562 | 0.91 | BCHE (0.60) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL725498 | 0.89 | BCHE (0.58) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL10035655 | 0.88 | LCK (0.60) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL2760317 | 0.87 | LCK (0.61) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL8097195 | 0.85 | LCK (0.65) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL20767987 | 0.85 | HSD17B3 (0.56) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL10035521 | 0.84 | LCK (0.64) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL726886 | 0.84 | ALDH1A1 (0.56) | LCKFYNAKR1B1GRB2ALDH1A1 | |
| SCHEMBL24062584 | 0.83 | ALDH1A1 (0.60) | LCKFYNAKR1B1GRB2ALDH1A1 |
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 |