Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GABRP | O00591 | 2/20 | 0.40 |
| ▸ | GABRD | O14764 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL29092428 | 0.95 | HSP90AA1 (0.44) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| SCHEMBL29092427 | 0.84 | HSP90AA1 (0.43) | HSP90AA1CDK5CDK5R1DAOAURKA | |
| SCHEMBL3788615 | 0.80 | AURKA (0.51) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| SCHEMBL21463352 | 0.77 | AURKA (0.51) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| SCHEMBL30615475 | 0.77 | HSP90AA1 (0.56) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| SCHEMBL21463496 | 0.76 | CDK5 (0.45) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| Nitrous Acid SCHEMBL28909359 | 0.76 | ALDH1A1 (0.59) | KDM4EMAPTALDH1A1MEN1KDM6B | |
| SCHEMBL30615353 | 0.75 | CDK5 (0.49) | HSP90AA1CDK5CDK5R1DAOAURKA | |
| SCHEMBL23119573 | 0.74 | CDK5 (0.59) | HSP90AA1KDM4ECDK5CDK5R1DAO | |
| SCHEMBL21102093 | 0.73 | CDK5 (0.44) | HSP90AA1KDM4ECDK5CDK5R1DAO |
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 |