Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 8/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2650626 | 0.90 | LPL (0.41) | LPLLIPGROCK1CYP11B1CYP11B2 | |
| SCHEMBL20904725 | 0.84 | LPL (0.49) | LPLLIPGROCK1PRMT5WDR77 | |
| SCHEMBL2658918 | 0.82 | GABRA1 (0.40) | LPLLIPGROCK1ESR2BCAT1 | |
| SCHEMBL30376230 | 0.82 | LPL (0.47) | LPLLIPGROCK1CYP11B1CYP11B2 | |
| SCHEMBL751210 | 0.82 | LPL (0.47) | LPLLIPGROCK1CYP11B1CYP11B2 | |
| SCHEMBL7156710 | 0.79 | CYP11B1 (0.35) | LPLLIPGCYP11B1CYP11B2BCAT1 | |
| SCHEMBL1514603 | 0.79 | LPL (0.47) | LPLLIPGROCK1ESR2AR | |
| SCHEMBL30375876 | 0.79 | LPL (0.47) | LPLLIPGROCK1ESR2AR | |
| SCHEMBL2659727 | 0.78 | LPL (0.46) | LPLLIPGROCK1ESR2EGFR | |
| SCHEMBL4007982 | 0.78 | CYP11B2 (0.43) | LPLLIPGCYP11B1CYP11B2ESR2 |
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 3 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-2003006464-A1 | (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES | MERCK SHARP & DOHME LIMITED (GB) | 2003-01-23 | — | — | WO | disclosed |
| WO-2002074773-A1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2002-09-26 | — | — | WO | disclosed |