Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 12/20 | 0.57 |
| ▸ | CD99 | P14209 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.48 |
| ▸ | PDE2A | O00408 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | IARS1 | P41252 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19959543 | 0.85 | NT5E (0.62) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL19948959 | 0.85 | NT5E (0.75) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL22216605 | 0.83 | NT5E (0.60) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL25060864 | 0.83 | NT5E (0.63) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL19959539 | 0.83 | NT5E (0.70) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL19959538 | 0.81 | NT5E (0.58) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL25060862 | 0.81 | NT5E (0.61) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL19959457 | 0.80 | NT5E (0.74) | NT5ECD99ADORA3 | |
| SCHEMBL19959541 | 0.79 | NT5E (0.56) | NT5ECD99ADORA3PDE2AADORA2A | |
| SCHEMBL19959649 | 0.79 | NT5E (0.67) | NT5ECD99ADORA3PDE2AADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018049145-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-15 | — | — | WO | disclosed |