Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HINT1 | P49773 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | KRAS | P01116 | 4/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | PNP | P00491 | 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 | |
|---|---|---|---|---|
| SCHEMBL15189562 | 0.80 | NT5E (0.53) | NT5ETGM2POLBHINT1GSK3A | |
| SCHEMBL18490626 | 0.78 | ADORA3 (0.52) | NT5ETGM2HINT1GSK3ARPS6KA3 | |
| SCHEMBL29958907 | 0.78 | NT5E (0.53) | NT5ETGM2POLBHINT1IMPDH2 | |
| SCHEMBL3734057 | 0.77 | ADORA3 (0.51) | NT5ETGM2HINT1GSK3ARPS6KA3 | |
| SCHEMBL5987461 | 0.77 | HINT1 (0.51) | NT5ETGM2POLBHINT1GSK3A | |
| SCHEMBL29093004 | 0.77 | NT5E (0.56) | NT5ETGM2POLBHINT1STING1 | |
| SCHEMBL3294912 | 0.76 | NT5E (0.63) | NT5ETGM2HINT1GSK3ARPS6KA3 | |
| SCHEMBL7101375 | 0.75 | ADORA3 (0.53) | NT5ETGM2HINT1GSK3ARPS6KA3 | |
| SCHEMBL19049891 | 0.74 | STING1 (0.52) | NT5ETGM2HINT1GSK3ARPS6KA3 | |
| SCHEMBL29093384 | 0.74 | TGM2 (0.58) | NT5ETGM2POLBHINT1IMPDH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022225827-A1 | NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS | MERCK SHARP & DOHME LLC (US) | 2022-10-27 | — | — | WO | disclosed |
| WO-2022216577-A1 | NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS | MERCK SHARP & DOHME LLC (US) | 2022-10-13 | — | — | WO | disclosed |