Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GNG2 | P59768 | 1/20 | 0.38 |
| ▸ | GNB1 | P62873 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 4/20 | 0.36 |
| ▸ | RXRB | P28702 | 4/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| E1501 SCHEMBL28062423 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP3A4KDM4EMAPTRXRA | |
| SCHEMBL27584193 | 0.81 | GNG2 (0.47) | ALDH1A1GNG2GNB1KDM4EMAPT | |
| SCHEMBL28199787 | 0.79 | KIF11 (0.44) | ALDH1A1GNG2GNB1KIF11NQO1 | |
| SCHEMBL27525331 | 0.78 | KIF11 (0.43) | ALDH1A1GNG2GNB1KIF11NQO1 | |
| SCHEMBL28163793 | 0.77 | TSHR (0.42) | ALDH1A1KDM4EMAPTRXRARXRB | |
| Ethyl Acetate SCHEMBL28236624 | 0.76 | KDM4E (0.44) | ALDH1A1KDM4EMAPTHSD17B10NQO1 | |
| Anthracene SCHEMBL28161518 | 0.76 | GNG2 (0.43) | ALDH1A1GNG2GNB1KDM4EKIF11 | |
| Ethaneperoxoic Acid SCHEMBL27905558 | 0.75 | ALDH1A1 (0.43) | ALDH1A1GNG2GNB1KDM4EMAPT | |
| SCHEMBL28815383 | 0.73 | KIF11 (0.39) | ALDH1A1GNG2GNB1KDM4ERXRA | |
| Piperazine SCHEMBL27836342 | 0.73 | KIF11 (0.42) | GNG2GNB1KIF11NQO1 |
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-108738321-A | GalNAc cluster phosphoramidites | 豪夫迈·罗氏有限公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-107709342-A | Process for preparing acetylgalactosamine acid derivatives | 豪夫迈·罗氏有限公司 | 2018-02-16 | — | — | CN | disclosed |