Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 4/20 | 0.47 |
| ▸ | TDO2 | P48775 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | GABRP | O00591 | 6/20 | 0.43 |
| ▸ | GABRD | O14764 | 6/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 6/20 | 0.43 |
| ▸ | GABRE | P78334 | 6/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30615496 | 0.95 | CDK5 (0.48) | CDK5CDK5R1AURKATDO2MAPK9 | |
| SCHEMBL23119573 | 0.80 | CDK5 (0.59) | CDK5CDK5R1AURKAGABRPGABRD | |
| SCHEMBL21463568 | 0.80 | AURKA (0.48) | CDK5CDK5R1AURKATDO2GABRP | |
| SCHEMBL30615483 | 0.80 | AURKA (0.48) | CDK5CDK5R1AURKATDO2GABRP | |
| SCHEMBL30615444 | 0.80 | AURKA (0.48) | CDK5CDK5R1AURKATDO2GABRP | |
| SCHEMBL21463957 | 0.80 | AURKA (0.48) | CDK5CDK5R1AURKATDO2GABRP | |
| SCHEMBL1238432 | 0.77 | AURKA (0.50) | CDK5CDK5R1AURKAGABRPGABRD | |
| SCHEMBL30257855 | 0.77 | AURKA (0.50) | CDK5CDK5R1AURKAGABRPGABRD | |
| SCHEMBL21464439 | 0.76 | GABRP (0.51) | CDK5CDK5R1AURKAGABRPGABRD | |
| SCHEMBL21463351 | 0.76 | GABRP (0.51) | CDK5CDK5R1AURKAMAPK10GABRP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |