Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.63 |
| ▸ | GAA | P10253 | 7/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | HPGD | P15428 | 4/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | ABL1 | P00519 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | CASP7 | P55210 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | CFTR | P13569 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10581522 | 0.91 | ALDH1A1 (0.75) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL2387646 | 0.81 | ALDH1A1 (0.64) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL23673927 | 0.80 | GAA (0.62) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL2386324 | 0.80 | KDM4E (0.62) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL27298769 | 0.79 | KDM4E (0.58) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL13162548 | 0.78 | ALDH1A1 (0.60) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL5408402 | 0.78 | ALDH1A1 (0.60) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL2388510 | 0.78 | GAA (0.60) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL30041521 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAKDM4EHPGDHSD17B10 | |
| SCHEMBL1809277 | 0.78 | ALDH1A1 (1.00) | ALDH1A1GAAKDM4EHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103140221-A | Novel heterocyclic derivatives and pharmaceutical composition containing same | SHIONOGI & CO | 2013-06-05 | — | — | CN | disclosed |