Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | ACHE | P22303 | 7/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2783276 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL9162336 | 0.84 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL9413499 | 0.82 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL7328074 | 0.81 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2784285 | 0.80 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL18274457 | 0.78 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL24994428 | 0.77 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL1019672 | 0.77 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL22854282 | 0.77 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL7296589 | 0.77 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E |
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 |