Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 7/20 | 0.62 |
| ▸ | CD99 | P14209 | 1/20 | 0.61 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.58 |
| ▸ | MARS1 | P56192 | 1/20 | 0.55 |
| ▸ | P2RY1 | P47900 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | SRC | P12931 | 2/20 | 0.54 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.54 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.54 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.54 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | FBP1 | P09467 | 1/20 | 0.54 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.54 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.54 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19961899 | 0.96 | NT5E (0.60) | NT5ECD99HSP90B1MARS1P2RY1 | |
| SCHEMBL24026262 | 0.89 | NT5E (0.75) | NT5ECD99P2RY1ADORA1SRC | |
| SCHEMBL19949177 | 0.89 | NT5E (0.75) | NT5ECD99P2RY1ADORA1SRC | |
| SCHEMBL30262594 | 0.89 | NT5E (0.75) | NT5ECD99P2RY1ADORA1SRC | |
| SCHEMBL19949155 | 0.87 | NT5E (0.81) | NT5ECD99ADORA1PDE4DPDE3A | |
| SCHEMBL19961919 | 0.83 | NT5E (0.78) | NT5ECD99ADORA1PDE4DPDE3A | |
| SCHEMBL24026250 | 0.83 | NT5E (0.86) | NT5ECD99ADORA1PDE4DPDE3A | |
| SCHEMBL8970144 | 0.83 | NT5E (0.63) | NT5EMARS1P2RY1ADORA1SRC | |
| SCHEMBL8970134 | 0.83 | NT5E (0.63) | NT5EMARS1P2RY1ADORA1SRC | |
| SCHEMBL381959 | 0.83 | NT5E (0.69) | NT5EP2RY1ADORA1SRCP2RY2 |
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 |