Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MECP2 | P51608 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL979345 | 0.84 | IKBKB (0.50) | IKBKBMAP4K4MAOAALOX5APFEN1 | |
| SCHEMBL31006072 | 0.81 | IKBKB (0.51) | IKBKBMAP4K4MAOAADORA2ANTRK1 | |
| SCHEMBL4975197 | 0.80 | ESR2 (0.48) | MAOACYP11B2CYP11B1LRRK2AR | |
| SCHEMBL2649762 | 0.79 | GRM5 (0.41) | IKBKBMAP4K4MAOAALOX5APFEN1 | |
| SCHEMBL22211410 | 0.78 | CTSS (0.49) | CYP11B2CYP11B1AR | |
| SCHEMBL12679951 | 0.77 | IKBKB (0.56) | IKBKBMAP4K4MAOAADORA2ANTRK1 | |
| SCHEMBL3786949 | 0.77 | MAP4K4 (0.50) | MAP4K4MAOAMECP2 | |
| SCHEMBL12707386 | 0.77 | MAOA (0.41) | IKBKBMAP4K4MAOAALOX5APFEN1 | |
| SCHEMBL28662059 | 0.75 | CA1 (0.45) | ALOX5APFEN1ADORA2AUSP30CYP11B2 | |
| SCHEMBL980699 | 0.75 | CYP11B1 (0.49) | MAP4K4MAOACYP11B2CYP11B1PIK3CA |
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 |