Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.71 |
| ▸ | MAPT | P10636 | 7/20 | 0.71 |
| ▸ | HPGD | P15428 | 6/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | EP300 | Q09472 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 5/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.56 |
| ▸ | ATM | Q13315 | 6/20 | 0.54 |
| ▸ | GLA | P06280 | 6/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | KLK7 | P49862 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 5/20 | 0.48 |
| ▸ | CASP7 | P55210 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29351705 | 0.90 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL37694 | 0.90 | ALDH1A1 (0.69) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| Ethylene SCHEMBL28055534 | 0.89 | ALDH1A1 (0.67) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL13869309 | 0.87 | ALDH1A1 (0.86) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL29569907 | 0.84 | ALDH1A1 (0.77) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL28721602 | 0.84 | ALDH1A1 (0.77) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL28720726 | 0.83 | ALDH1A1 (0.75) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL8132354 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| SCHEMBL5590828 | 0.83 | ALDH1A1 (0.78) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 | |
| Acetic Acid SCHEMBL723858 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTHPGDL3MBTL1 |
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-113573735-A | Photo-thermal composites, nanoclusters, substance delivery vehicles and pharmaceutical compositions | 国立研究开发法人产业技术总合研究所 | 2021-10-29 | — | — | CN | disclosed |