Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 6/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621168 | 0.87 | PRKAB2 (0.39) | GSK3BMAPK14PTPN7TDP1CYP1A2 | |
| SCHEMBL29947030 | 0.87 | PRKAB2 (0.39) | GSK3BMAPK14PTPN7TDP1CYP1A2 | |
| SCHEMBL21621297 | 0.82 | GSK3B (0.47) | GSK3BMAPK14PTPN7TDP1CYP1A2 | |
| SCHEMBL21621298 | 0.79 | ALDH1A1 (0.49) | GSK3BMAPK14PTPN7CYP1A2CYP3A4 | |
| SCHEMBL21621296 | 0.79 | ADORA2A (0.48) | PTPN7TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29947114 | 0.76 | PRKAB2 (0.38) | GSK3BMAPK14PTPN7TDP1CYP1A2 | |
| SCHEMBL21621162 | 0.76 | PRKAB2 (0.38) | GSK3BMAPK14PTPN7TDP1CYP1A2 | |
| SCHEMBL21621300 | 0.75 | LMNA (0.43) | TDP1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL29947060 | 0.75 | LMNA (0.43) | TDP1CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL21621167 | 0.75 | ADORA2B (0.38) | GSK3BMAPK14CYP1A2CYP3A4CYP2D6 |
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-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |
| WO-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |