Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | WRN | Q14191 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.31 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL193502 | 0.77 | CES2 (0.35) | CES2CES1GSK3BDAOWRN | |
| SCHEMBL7067216 | 0.77 | GABBR2 (0.40) | GSK3BDAOWRNTOP2ATOP2B | |
| SCHEMBL21495021 | 0.77 | CES2 (0.35) | CES2CES1GSK3BDAOWRN | |
| SCHEMBL4599794 | 0.75 | CES2 (0.34) | CES2CES1GSK3BDAOWRN | |
| SCHEMBL7449320 | 0.72 | GSK3B (0.33) | GSK3BWRN | |
| SCHEMBL7068733 | 0.69 | GSK3B (0.44) | GSK3BDAOKDM4EALDH1A1LMNA | |
| SCHEMBL28723184 | 0.69 | GSK3B (0.35) | GSK3B | |
| SCHEMBL371534 | 0.69 | GSK3B (0.35) | GSK3B | |
| SCHEMBL4173122 | 0.69 | — | — | |
| SCHEMBL1163934 | 0.68 | CES2 (0.41) | CES2CES1GSK3BDAOWRN |
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-2003055479-A1 | COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) | 2003-07-10 | — | — | WO | disclosed |