Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4372720 | 0.83 | TDO2 (0.33) | — | |
| SCHEMBL1490977 | 0.80 | AHR (0.35) | CYP2A6 | |
| SCHEMBL6797075 | 0.79 | — | — | |
| SCHEMBL7808119 | 0.79 | ALOX5AP (0.36) | ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL16564208 | 0.78 | NOTUM (0.34) | — | |
| SCHEMBL1491003 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPK1CYP2A6MEN1KMT2A | |
| SCHEMBL17514910 | 0.74 | — | — | |
| SCHEMBL192325 | 0.73 | — | — | |
| SCHEMBL7604808 | 0.68 | ALDH1A1 (0.37) | ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL1491045 | 0.68 | ALOX5AP (0.33) | ALDH1A1MAPK1CYP2A6MEN1KMT2A |
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-2477982-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |
| EP-2200607-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009035818-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2009-03-19 | — | — | WO | disclosed |