Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2592508 | 0.84 | TAAR1 (0.51) | PDPK1ADORA2AADORA1ADORA2BHSP90AA1 | |
| SCHEMBL1701865 | 0.76 | FYN (0.43) | PDGFRBKITCDK5CDK5R1KDM4E | |
| SCHEMBL3059958 | 0.75 | TAAR1 (0.57) | PDPK1ADORA2ATAAR1KDM4EHSD17B10 | |
| SCHEMBL10305768 | 0.74 | ADORA2A (0.49) | PDPK1ADORA2AADORA1ADORA2BHSP90AA1 | |
| SCHEMBL27651185 | 0.66 | KDM4E (0.47) | ADORA2AADORA1ADORA2BHSP90AA1HSP90AB1 | |
| SCHEMBL27671102 | 0.66 | MAPT (0.43) | PDPK1ADORA2AADORA1ADORA2BTAAR1 | |
| SCHEMBL1701209 | 0.65 | HSP90AA1 (0.48) | PDPK1ADORA2AADORA1ADORA2BHSP90AA1 | |
| SCHEMBL27203335 | 0.65 | MAPT (0.43) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL27512201 | 0.65 | KDM4E (0.50) | PDPK1ADORA2AADORA1ADORA2BHSP90AA1 | |
| SCHEMBL1701227 | 0.64 | PTGS1 (0.42) | ADORA2AADORA1ADORA2BTAAR1KDM4E |
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-2563776-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011139489-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-11-10 | — | — | WO | disclosed |