Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TYMP | P19971 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 5/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 5/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | PNP | P00491 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8265173 | 0.75 | MAPK1 (0.54) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL11206266 | 0.71 | GRIN2D (0.41) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL21657741 | 0.71 | GRIN2D (0.41) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL5156617 | 0.69 | — | — | |
| SCHEMBL1720543 | 0.69 | PARP1 (0.56) | CYP1A2PARP1DAODDO | |
| SCHEMBL17178680 | 0.68 | — | — | |
| SCHEMBL18560159 | 0.66 | TSHR (0.47) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL2578747 | 0.65 | — | — | |
| SCHEMBL15397058 | 0.65 | PNP (0.42) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL18322987 | 0.64 | KDM4E (0.43) | KDM4EALDH1A1GLAGAAHPGD |
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-2020117625-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2020-06-11 | — | — | WO | disclosed |