Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.41 |
| ▸ | BMPR1B | O00238 | 2/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.41 |
| ▸ | CMKLR1 | Q99788 | 6/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12499160 | 0.90 | S1PR1 (0.42) | S1PR1ALDH1A1BMPR1BBMPR1ATGFBR1 | |
| SCHEMBL12499801 | 0.89 | S1PR1 (0.46) | S1PR1PDE9AHRH3 | |
| SCHEMBL20162102 | 0.82 | PDE9A (0.41) | CMKLR1PDE9AEZH1 | |
| SCHEMBL12499973 | 0.80 | S1PR1 (0.45) | S1PR1ALDH1A1PDE9AHRH3 | |
| SCHEMBL12499472 | 0.79 | EZH2 (0.62) | EZH1 | |
| SCHEMBL12499397 | 0.72 | CMKLR1 (0.39) | ALDH1A1CMKLR1PDE9AEZH1 | |
| SCHEMBL2594585 | 0.71 | OPRK1 (0.43) | PDE9A | |
| SCHEMBL2594124 | 0.69 | KDM4E (0.48) | ALDH1A1PDE9A | |
| SCHEMBL12498440 | 0.68 | KDM5A (0.41) | PDE9A | |
| SCHEMBL22055993 | 0.66 | PDE9A (0.39) | ALDH1A1PDE9AEZH1 |
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-2681216-A2 | SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS | Epizyme, Inc. (US) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012118812-A2 | SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS | Epizyme, Inc. (US) | 2012-09-07 | — | — | WO | disclosed |