Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | BLM | P54132 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1701229 | 0.84 | PDPK1 (0.40) | TAAR1ADORA2AADORA1HSP90AA1HSP90AB1 | |
| SCHEMBL10305768 | 0.79 | ADORA2A (0.49) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL2591881 | 0.72 | MAPT (0.45) | PDE10AHSD17B10ALDH1A1KDM4EHPGD | |
| SCHEMBL2592615 | 0.72 | HSP90AA1 (0.35) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL1161258 | 0.70 | TAAR1 (1.00) | TAAR1ADORA2AHSD17B10ALDH1A1KDM4E | |
| SCHEMBL1701209 | 0.69 | HSP90AA1 (0.48) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL27203335 | 0.69 | MAPT (0.43) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL27512201 | 0.68 | KDM4E (0.50) | ADORA2AADORA1HSP90AA1HSP90AB1PDE10A | |
| SCHEMBL26905277 | 0.68 | MAPT (0.52) | HSP90AA1HSP90AB1PDE10AHSD17B10ALDH1A1 | |
| SCHEMBL5257770 | 0.66 | CHEK1 (0.49) | PDE10APDPK1HSD17B10ALDH1A1KDM4E |
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-2563759-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011139765-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2011-11-10 | — | — | WO | disclosed |