Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 2/20 | 0.37 |
| ▸ | NT5E | P21589 | 2/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL29685062 | 0.78 | PDE2A (0.60) | CDK1PDE2API4KAPI4K2BPI4K2A | |
| SCHEMBL130521 | 0.78 | PDE2A (0.60) | CDK1PDE2API4KAPI4K2BPI4K2A | |
| SCHEMBL24500179 | 0.74 | KDM4E (0.41) | CDK1PDE2ANT5EPI4KAPI4K2B | |
| SCHEMBL21481726 | 0.71 | CDK1 (0.34) | HTTCDK1PDE2ANT5E | |
| SCHEMBL23274461 | 0.71 | ALDH1A1 (0.59) | PI4KAPI4K2BPI4K2API4KBKMT2A | |
| SCHEMBL21481606 | 0.69 | ADORA2A (0.52) | HTTGAA | |
| SCHEMBL31385338 | 0.69 | ADORA2A (0.52) | HTTGAA | |
| SCHEMBL21481670 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL21481598 | 0.68 | ADORA2A (0.39) | HTTNT5E | |
| SCHEMBL21462235 | 0.65 | CYP3A4 (0.64) | HTTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111433205-A | Polycyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2020-07-17 | — | — | CN | disclosed |
| WO-2019196918-A1 | FIVE-MEMBERED HETEROCYCLO-PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 罗欣药业(上海)有限公司 | 2019-10-17 | — | — | WO | disclosed |