Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29836030 | 0.73 | HTT (0.47) | GRM1 | |
| SCHEMBL168765 | 0.73 | HTT (0.47) | GRM1 | |
| SCHEMBL722831 | 0.73 | CASP3 (0.37) | PKM | |
| SCHEMBL722830 | 0.73 | CASP3 (0.37) | PKM | |
| SCHEMBL167694 | 0.70 | GRM1 (0.51) | GRM1PKM | |
| SCHEMBL168426 | 0.69 | CA1 (0.50) | — | |
| SCHEMBL11866432 | 0.69 | ALDH1A1 (0.38) | GRM1 | |
| SCHEMBL4261356 | 0.67 | HTT (0.47) | — | |
| SCHEMBL30922272 | 0.66 | ALDH1A1 (0.39) | GRM1 | |
| SCHEMBL26606973 | 0.65 | ALDH1A1 (0.33) | GRM1CYP1A1CYP1B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609095-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-2563776-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2012027710-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011139489-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-11-10 | — | — | WO | disclosed |