Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | NT5E | P21589 | 7/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.40 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18061561 | 1.00 | ADORA3 (0.44) | ADORA3ADORA1NT5EADORA2BCYP3A4 | |
| SCHEMBL18067078 | 0.88 | GPR17 (0.51) | ADORA3ADORA1NT5EADORA2BP2RY1 | |
| SCHEMBL18067076 | 0.88 | P2RY1 (0.51) | ADORA3ADORA1NT5EADORA2BP2RY1 | |
| SCHEMBL18061564 | 0.88 | NT5E (0.43) | NT5ECYP3A4CYP2C9P2RY1 | |
| At-9010 SCHEMBL25844490 | 0.88 | GPR17 (0.52) | ADORA3ADORA1NT5EADORA2BP2RY1 | |
| At-9010 SCHEMBL18067079 | 0.88 | GPR17 (0.52) | ADORA3ADORA1NT5EADORA2BP2RY1 | |
| SCHEMBL20434495 | 0.87 | CYP3A4 (0.53) | ADORA3ADORA1NT5EADORA2BCYP3A4 | |
| SCHEMBL29899657 | 0.87 | CYP3A4 (0.53) | ADORA3ADORA1NT5EADORA2BCYP3A4 | |
| SCHEMBL26676257 | 0.87 | CYP3A4 (0.53) | ADORA3ADORA1NT5EADORA2BCYP3A4 | |
| SCHEMBL26676252 | 0.87 | CYP3A4 (0.53) | ADORA3ADORA1NT5EADORA2BCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9828410-B2 | β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment | Atea Pharmaceuticals, Inc. (US) | 2017-11-28 | — | — | US | disclosed |