Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947060 | 1.00 | LMNA (0.43) | LMNACLK4VCPDYRK1ACLK1 | |
| SCHEMBL21621173 | 0.86 | TRIM58 (0.45) | LMNACLK4VCPDYRK1ACLK1 | |
| SCHEMBL29947028 | 0.86 | TRIM58 (0.45) | LMNACLK4VCPDYRK1ACLK1 | |
| SCHEMBL21621297 | 0.82 | GSK3B (0.47) | LMNAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL21621298 | 0.81 | ALDH1A1 (0.49) | LMNAMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL21621296 | 0.78 | ADORA2A (0.48) | LMNACLK4DYRK1AMEN1KMT2A | |
| SCHEMBL21621169 | 0.75 | GSK3B (0.37) | LMNACLK4DYRK1ACLK2MEN1 | |
| SCHEMBL21621271 | 0.74 | PRKAB2 (0.62) | LMNACLK4MEN1KMT2APRKAB2 | |
| SCHEMBL29947031 | 0.74 | PRKAB2 (0.62) | LMNACLK4MEN1KMT2APRKAB2 | |
| SCHEMBL21621245 | 0.74 | TRIM58 (0.44) | LMNACLK4VCPDYRK1ACYP1A2 |
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 3 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 |
| CN-111094254-A | Heteroaryl derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | 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 |