Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 7/20 | 0.38 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | WNT1 | P04628 | 2/20 | 0.36 |
| ▸ | TTK | P33981 | 3/20 | 0.36 |
| ▸ | CLK2 | P49760 | 2/20 | 0.36 |
| ▸ | CLK3 | P49761 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.33 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.33 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.33 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7125034 | 0.78 | RIPK2 (0.42) | DYRK1AGSK3BWNT1TTKCLK2 | |
| SCHEMBL14077014 | 0.69 | GAA (0.54) | DYRK1AGSK3BKDM4EALDH1A1GAA | |
| SCHEMBL18448007 | 0.67 | WNT1 (0.49) | DYRK1AGSK3BWNT1CLK2CLK3 | |
| SCHEMBL18494630 | 0.65 | WNT1 (0.48) | DYRK1AWNT1CLK2CLK3 | |
| SCHEMBL18441698 | 0.64 | WNT1 (0.61) | DYRK1AGSK3BWNT1CLK2CLK3 | |
| SCHEMBL18443277 | 0.63 | WNT1 (0.45) | DYRK1AGSK3BWNT1CLK2CLK3 | |
| SCHEMBL7119935 | 0.63 | RIPK2 (0.41) | TTK | |
| SCHEMBL18446957 | 0.62 | WNT1 (0.57) | DYRK1AWNT1CLK2CLK3 | |
| SCHEMBL28996272 | 0.62 | BCHE (0.42) | ALDH1A1TP53 | |
| SCHEMBL6754326 | 0.62 | MAP4K4 (0.49) | DYRK1ATTKCYP1A2CYP3A4CYP2D6 |
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-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |