Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2648001 | 0.78 | ADORA1 (0.42) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL2569036 | 0.77 | ADORA1 (0.46) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL1947934 | 0.77 | TRPV4 (0.58) | KDM4EGAAADORA1ADORA2AADORA2B | |
| SCHEMBL2650355 | 0.76 | CYP11B1 (0.46) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL30415829 | 0.74 | CYP11B1 (0.50) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL13614777 | 0.74 | CYP11B1 (0.50) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL2650101 | 0.72 | ADORA1 (0.47) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL6251132 | 0.72 | KDM4E (0.77) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL25260661 | 0.71 | BRD4 (0.51) | ALDH1A1KDM4EHPGDSMN1; SMN2ADORA2A | |
| SCHEMBL27091735 | 0.71 | ALDH1A1 (0.48) | ALDH1A1KDM4EGLAGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1381606-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2004-01-21 | — | — | EP | disclosed |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |