Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | MARK3 | P27448 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19002129 | 0.94 | ALDH1A1 (0.46) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL17265813 | 0.81 | ALDH1A1 (0.60) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL12965796 | 0.81 | ADORA3 (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11831568 | 0.73 | ADORA3 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11829105 | 0.73 | ALDH1A1 (0.62) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL10143723 | 0.69 | SMN1; SMN2 (0.44) | KDM4EALDH1A1GAAHPGDSMN1; SMN2 | |
| SCHEMBL813686 | 0.69 | METAP2 (0.44) | ALDH1A1SMN1; SMN2AURKA | |
| SCHEMBL19269017 | 0.68 | KDM4E (0.37) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL824434 | 0.68 | ALDH1A1 (0.56) | KDM4EALDH1A1GLAGAAHPGD | |
| SCHEMBL11153938 | 0.67 | KDM4E (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| US-9139569-B2 | Fused tricyclic aryl compounds useful for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |