Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.55 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.55 |
| ▸ | FER | P16591 | 1/20 | 0.55 |
| ▸ | LTK | P29376 | 1/20 | 0.55 |
| ▸ | CDK8 | P49336 | 1/20 | 0.55 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2449133 | 1.00 | LRRK2 (0.55) | LRRK2DYRK1BPDGFRAFERLTK | |
| Trifluoroacetic Acid SCHEMBL8836917 | 0.86 | LRRK2 (0.42) | LRRK2DYRK1BPDGFRAFERLTK | |
| Ethyne SCHEMBL8836911 | 0.84 | LRRK2 (0.41) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL9025284 | 0.84 | PDGFRA (0.55) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL7404124 | 0.81 | CA12 (0.55) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL8836954 | 0.79 | LRRK2 (0.36) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL29483964 | 0.79 | AHR (0.50) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL37900 | 0.79 | AHR (0.50) | LRRK2DYRK1BPDGFRAFERLTK | |
| SCHEMBL6619938 | 0.78 | CLK4 (0.62) | LRRK2DYRK1BMAOAMAOBGSK3B | |
| SCHEMBL21619357 | 0.76 | CMA1 (0.51) | LRRK2DYRK1BCA9AHRCDK5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112601749-B | Benzodiazepine derivatives, compositions and methods for treating cognitive impairment | 艾吉因生物股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-116785449-A | Benzopyrrolopyrrole heterocyclic compound and conjugate thereof, preparation method and application thereof | 江苏恒瑞医药股份有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-116640143-A | Benzodiazepine derivatives, compositions and methods for treating cognitive impairment | 艾吉因生物股份有限公司 | 2023-08-25 | — | — | CN | disclosed |
| WO-2023280296-A1 | FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF | Sironax Ltd. (KY) | 2023-01-12 | — | — | WO | disclosed |