Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 7/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29045928 | 1.00 | DYRK1A (0.47) | DYRK1ABCHEACHEROCK2ACACB | |
| SCHEMBL29045902 | 0.92 | AR (0.42) | DYRK1AACACBPARP14PIM3L3MBTL1 | |
| SCHEMBL29986202 | 0.92 | AR (0.42) | DYRK1AACACBPARP14PIM3L3MBTL1 | |
| SCHEMBL29045900 | 0.92 | AR (0.42) | DYRK1AACACBPARP14PIM3L3MBTL1 | |
| SCHEMBL29045942 | 0.86 | DYRK1A (0.43) | DYRK1ABCHEACHEROCK2PARP14 | |
| SCHEMBL29045951 | 0.83 | PARP14 (0.54) | DYRK1ABCHEPARP14MAOACYP1A2 | |
| SCHEMBL29045946 | 0.83 | PARP14 (0.54) | DYRK1ABCHEPARP14MAOACYP1A2 | |
| SCHEMBL29045899 | 0.81 | BCHE (0.49) | DYRK1ABCHEACHEROCK2PARP14 | |
| SCHEMBL29986906 | 0.81 | BCHE (0.49) | DYRK1ABCHEACHEROCK2PARP14 | |
| SCHEMBL29045894 | 0.81 | HTR2C (0.44) | DYRK1ABCHEACHEROCK2PARP14 |
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-115304597-B | Beta-carboline compounds and application thereof in preparation of medicines for treating or preventing tumor diseases | 中国科学院深圳先进技术研究院 | 2023-10-20 | — | — | CN | disclosed |
| CN-115304597-A | Beta-carboline compounds and application thereof in preparing medicines for treating or preventing tumor diseases | 中国科学院深圳先进技术研究院 | 2022-11-08 | — | — | CN | disclosed |