Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 9/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL1061032 | 0.91 | GRM5 (0.46) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL378818 | 0.91 | CA12 (0.46) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL5633251 | 0.78 | ALDH1A1 (0.47) | GRM5MAPK14ALDH1A1MELK | |
| SCHEMBL2944870 | 0.77 | ASIC3 (0.48) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL2949406 | 0.75 | GRM5 (0.46) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL11551847 | 0.73 | ESR2 (0.53) | CA12CA2CA9CA1MAPK14 | |
| SCHEMBL31286312 | 0.73 | CA12 (0.62) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL9302636 | 0.73 | CA12 (0.62) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL25225040 | 0.73 | HSD17B13 (0.46) | GRM5CA12CA2CA9CA1 | |
| SCHEMBL12325459 | 0.73 | CA12 (0.46) | GRM5CA12CA2CA9CA1 |
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-2268641-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | Advinus Therapeutics Pvt. Ltd. (IN) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009118759-A2 | HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST | ADVINUS THERAPEUTICS PVT. LTD., (IN) | 2009-10-01 | — | — | WO | disclosed |