Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | APEX1 | P27695 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 3/20 | 0.53 |
| ▸ | SNCA | P37840 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | ALPL | P05186 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | RAD52 | P43351 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL21722482 | 0.91 | BACE1 (0.54) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL349230 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL349242 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL349229 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL29934807 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL25248714 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL30933002 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| 3'-O-Methyl Epicatechin SCHEMBL29526979 | 0.84 | BACE1 (0.73) | BACE1KDM4EPTGS1GAAMEN1 | |
| SCHEMBL21738186 | 0.84 | BACE1 (0.57) | BACE1KDM4EPTGS1GAAMEN1 | |
| SCHEMBL21738285 | 0.82 | CYP2C9 (0.61) | KDM4EGAAMEN1KMT2AHSD17B10 |
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-2020035058-A1 | PHARMACEUTICAL COMPOUNDS FOR TREATING LIVER DISEASES AND APPLICATION THEREOF | 江苏新元素医药科技有限公司 | 2020-02-20 | — | — | WO | disclosed |