Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29556386 | 1.00 | ALDH1A1 (0.58) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL22129521 | 0.82 | ALDH1A1 (0.46) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL31723989 | 0.81 | ALDH1A1 (0.57) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL308169 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL7399848 | 0.79 | LMNA (0.71) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL11152460 | 0.79 | ALDH1A1 (0.54) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL478339 | 0.79 | LMNA (0.71) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL125972 | 0.79 | LMNA (0.71) | ALDH1A1GAAPOLBTP53KDM4E | |
| SCHEMBL29472125 | 0.79 | LMNA (0.71) | ALDH1A1GAAPOLBTP53KDM4E | |
| Hydrochloric Acid SCHEMBL6985664 | 0.78 | LMNA (0.69) | ALDH1A1GAAPOLBTP53KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108299281-A | A kind of synthetic method of the deuterium-labeled a-amino acid of stable isotope | 上海化工研究院有限公司 | 2018-07-20 | — | — | CN | claimed |
| CN-108299281-A | A kind of synthetic method of the deuterium-labeled a-amino acid of stable isotope | 上海化工研究院有限公司 | 2018-07-20 | — | — | CN | disclosed |