Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | GRM5 | P41594 | 6/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.34 |
| ▸ | OGA | O60502 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4409177 | 0.89 | GRM5 (0.50) | ALDH1A1TSHRGRM5ATAD2HTT | |
| SCHEMBL12938272 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TSHRGRM5CDK1MAPKAPK2 | |
| SCHEMBL12938269 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRGRM5CDK1MAPKAPK2 | |
| SCHEMBL2073986 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRGRM5CDK1MAPKAPK2 | |
| SCHEMBL3587356 | 0.76 | ALDH1A1 (0.51) | ALDH1A1TSHRGRM5MAPK1USP2 | |
| SCHEMBL19152800 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL6118325 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRGRM5CDK1MAPK1 | |
| SCHEMBL2035154 | 0.76 | ALDH1A1 (0.61) | ALDH1A1TSHRGRM5CDK1MAPK1 | |
| SCHEMBL303576 | 0.71 | PIK3CD (0.67) | ALDH1A1TSHRHTTOGA | |
| SCHEMBL15001035 | 0.71 | CCNE1 (0.41) | ALDH1A1CDK1HTT |
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-2000064904-A1 | 5,7-BICYCLIC AMIDINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | ASTRAZENECA AB (SE) | 2000-11-02 | — | — | WO | disclosed |