Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14719178 | 0.82 | KDM4E (0.37) | ALDH1A1GAALMNAHSD17B10SLC6A3 | |
| SCHEMBL31160530 | 0.82 | HPGD (0.41) | NR4A2ALDH1A1GAANOTUMLMNA | |
| SCHEMBL30900389 | 0.82 | SLC6A3 (0.39) | NR4A2ALDH1A1GAANOTUMHSD17B10 | |
| SCHEMBL23704924 | 0.82 | KDM4E (0.44) | NR4A2ALDH1A1GAAHSD17B10L3MBTL1 | |
| SCHEMBL38663430 | 0.82 | KDM4E (0.44) | NR4A2ALDH1A1GAAHSD17B10L3MBTL1 | |
| SCHEMBL23090012 | 0.82 | HPGD (0.41) | NR4A2ALDH1A1GAANOTUMLMNA | |
| SCHEMBL21200490 | 0.82 | SLC6A3 (0.39) | NR4A2ALDH1A1GAANOTUMHSD17B10 | |
| SCHEMBL21199520 | 0.82 | NOTUM (0.40) | NR4A2ALDH1A1GAANOTUMLMNA | |
| SCHEMBL29744804 | 0.82 | NOTUM (0.40) | NR4A2ALDH1A1GAANOTUMLMNA | |
| SCHEMBL20045449 | 0.80 | NR4A2 (0.35) | NR4A2ALDH1A1GAANOTUMHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019201297-A1 | BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR | 南京明德新药研发有限公司 | 2019-10-24 | — | — | WO | disclosed |