Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KHK | P50053 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18274508 | 0.84 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2ACHEKDM4EHSD17B10 | |
| SCHEMBL18274496 | 0.82 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL12701471 | 0.77 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL18274483 | 0.77 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL16995086 | 0.74 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL10749589 | 0.73 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL15797371 | 0.73 | DPP4 (0.46) | ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT | |
| SCHEMBL18274461 | 0.72 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL16995108 | 0.72 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL12701343 | 0.72 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 |
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 |