Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HINT1 | P49773 | 5/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | PNP | P00491 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.46 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL18490509 | 0.87 | ADORA3 (0.57) | HINT1NT5EADORA3PNPGSK3A | |
| SCHEMBL15828230 | 0.83 | TGM2 (0.55) | NT5EPNPSTING1PDE3BPDE3A | |
| SCHEMBL15828308 | 0.83 | TGM2 (0.55) | NT5EPNPSTING1PDE3BPDE3A | |
| SCHEMBL22236660 | 0.81 | HINT1 (0.46) | HINT1NT5EADORA3PNPGSK3A | |
| SCHEMBL15828302 | 0.80 | NT5E (0.47) | HINT1NT5ETGM2TAAR1 | |
| SCHEMBL15828297 | 0.80 | NT5E (0.47) | HINT1NT5ETGM2TAAR1 | |
| SCHEMBL22644423 | 0.79 | HINT1 (0.55) | HINT1NT5EADORA3GSK3ARPS6KA3 | |
| SCHEMBL562135 | 0.79 | ADORA3 (0.59) | HINT1NT5EADORA3GSK3ARPS6KA3 | |
| SCHEMBL562134 | 0.79 | ADORA3 (0.59) | HINT1NT5EADORA3GSK3ARPS6KA3 | |
| SCHEMBL16144340 | 0.78 | ADORA3 (0.53) | HINT1NT5EADORA3STING1PDE3B |
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-2017027646-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | WO | disclosed |