Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.41 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.41 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3361280 | 0.80 | CES2 (0.47) | CES2ALDH1A1TSHRMGLLFBP1 | |
| SCHEMBL3364629 | 0.79 | KCNN4 (0.43) | CES2CES1ALDH1A1PTPN1 | |
| SCHEMBL4392163 | 0.79 | CES2 (0.46) | CES2CES1ALDH1A1TSHRGSK3B | |
| SCHEMBL63468 | 0.76 | ALDH1A1 (0.67) | CES2CES1ALDH1A1TSHRKIF11 | |
| SCHEMBL3365770 | 0.76 | CYP2A6 (0.44) | CES2CES1ALDH1A1CYP1A2 | |
| SCHEMBL28318087 | 0.75 | CES2 (0.43) | CES2CES1ALDH1A1TSHRGSK3B | |
| SCHEMBL61631 | 0.74 | CYP1A2 (0.54) | CES2CES1ALDH1A1TSHRCYP1A2 | |
| SCHEMBL3366400 | 0.74 | TSHR (0.48) | ALDH1A1TSHRCYP1A2KIF11SRD5A2 | |
| SCHEMBL3424511 | 0.74 | HSD17B10 (0.46) | CES2CES1ALDH1A1TSHR | |
| Formic Acid SCHEMBL31514292 | 0.73 | CES2 (0.46) | CES2CES1GSK3BCYP1A2PTPN1 |
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 |