Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.72 |
| ▸ | P2RY1 | P47900 | 5/20 | 0.68 |
| ▸ | P2RY2 | P41231 | 3/20 | 0.68 |
| ▸ | SRC | P12931 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.68 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.68 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.68 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.68 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.68 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.68 |
| ▸ | LDHA | P00338 | 1/20 | 0.68 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.68 |
| ▸ | FBP1 | P09467 | 1/20 | 0.68 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.68 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.68 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.68 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL17202722 | 1.00 | NT5E (0.72) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17213455 | 0.91 | NT5E (0.77) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17213516 | 0.89 | NT5E (0.67) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL23585905 | 0.85 | NT5E (0.53) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17206372 | 0.84 | P2RY1 (0.74) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17202728 | 0.84 | P2RY1 (0.74) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17202843 | 0.84 | P2RY1 (0.74) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL21947634 | 0.84 | P2RY1 (0.74) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17202732 | 0.84 | P2RY1 (0.72) | NT5EP2RY1P2RY2SRCSMN1; SMN2 | |
| SCHEMBL17202852 | 0.84 | P2RY1 (0.72) | NT5EP2RY1P2RY2SRCSMN1; SMN2 |
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-3134411-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | Vitae Pharmaceuticals, Inc. (US) | 2017-03-01 | — | — | EP | claimed |
| WO-2015164573-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | VITAE PHARMACEUTICALS, INC. (US) | 2015-10-29 | — | — | WO | claimed |