Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18112643 | 0.69 | LMNA (0.47) | ALDH1A1NPSR1TP53SMN1; SMN2L3MBTL1 | |
| SCHEMBL10309075 | 0.66 | GAA (0.57) | ALDH1A1NPSR1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL6187607 | 0.66 | MAPK1 (0.64) | ALDH1A1NPSR1GAAL3MBTL1MAPK1 | |
| SCHEMBL10309062 | 0.65 | ALDH1A1 (1.00) | ALDH1A1NPSR1TP53SMN1; SMN2MAPK1 | |
| SCHEMBL8658204 | 0.65 | MAPK1 (0.62) | ALDH1A1NPSR1GAAL3MBTL1MAPK1 | |
| SCHEMBL6876786 | 0.64 | GAA (0.58) | ALDH1A1NPSR1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL25211939 | 0.63 | GAA (0.57) | ALDH1A1NPSR1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL15840964 | 0.63 | GAA (0.57) | ALDH1A1NPSR1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL28775271 | 0.62 | KDM4E (0.53) | ALDH1A1NPSR1SMN1; SMN2GAAL3MBTL1 | |
| SCHEMBL12233267 | 0.62 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2L3MBTL1MAPK1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016159746-A1 | NOVEL ETHYNYLXANTHINES, THEIR PREPARATION AND USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AND ANGIOGENESIS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | claimed |
| WO-2016159745-A1 | ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016159747-A1 | ETHYNYLXANTHINES, PREPARATION AND USE AS CALCIUM ION CHANNEL MODULATORS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016159747-A1 | ETHYNYLXANTHINES, PREPARATION AND USE AS CALCIUM ION CHANNEL MODULATORS | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |
| WO-2016159745-A1 | ETHYNYLXANTHINES, PREPARATION AND USE FOR CANCER TREATMENT | LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) | 2016-10-06 | — | — | WO | disclosed |