Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.67 |
| ▸ | ACHE | P22303 | 5/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 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 | |
|---|---|---|---|---|
| SCHEMBL18274496 | 0.82 | ALDH1A1 (0.59) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL7328074 | 0.80 | ALDH1A1 (1.00) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL15797521 | 0.80 | ALDH1A1 (0.67) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL9162336 | 0.78 | ALDH1A1 (0.83) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL12701471 | 0.77 | ALDH1A1 (0.56) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL18240274 | 0.76 | ALDH1A1 (0.55) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL15129303 | 0.76 | RPS6KB1 (0.53) | ALDH1A1L3MBTL1KDM4EHSD17B10SMN1; SMN2 | |
| SCHEMBL12701343 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL12701075 | 0.75 | ALDH1A1 (0.53) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL12701334 | 0.75 | ALDH1A1 (0.58) | ALDH1A1ACHEL3MBTL1KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2931717-B1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |