Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 6/20 | 0.37 |
| ▸ | PNP | P00491 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455591 | 0.72 | — | — | |
| SCHEMBL3170605 | 0.68 | — | — | |
| SCHEMBL9918618 | 0.67 | GDA (0.41) | KDM4EGLAGAAALDH1A1GDA | |
| SCHEMBL12891981 | 0.66 | PI4KA (0.34) | ALKLMNAADORA2AXDH | |
| SCHEMBL9193365 | 0.65 | KDM4E (0.58) | KDM4EGLAGAAALDH1A1GDA | |
| SCHEMBL22216321 | 0.65 | AURKA (0.43) | PARP1 | |
| SCHEMBL15281154 | 0.64 | ADORA2A (0.36) | KDM4EGLAGAAALDH1A1GDA | |
| SCHEMBL2942472 | 0.64 | IP6K1 (0.41) | KDM4EGLAGAAALDH1A1GDA | |
| SCHEMBL19346387 | 0.63 | — | — | |
| SCHEMBL21393631 | 0.60 | GDA (0.43) | KDM4EGLAGAAALDH1A1GDA |
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 |