Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 9/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CCNK | O75909 | 1/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL303655 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL29587801 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL5496430 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL15389318 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL18901174 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL3152267 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL3152260 | 0.69 | BACE1 (0.52) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL22045710 | 0.69 | ADORA3 (0.47) | PKMDYRK1AKDM4EALDH1A1HPGD | |
| SCHEMBL3151839 | 0.69 | BACE1 (0.47) | BACE1PKMDYRK1ACCNKCDK12 | |
| SCHEMBL2814544 | 0.68 | PKM (0.52) | BACE1PKMDYRK1AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3012259-B1 | FIVE-MEMBERED HETEROCYCLIC PYRIDINE COMPOUNDS AND PREPARATION METHOD AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-06-03 | — | — | EP | disclosed |