Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
| ▸ | P4HB | P07237 | 1/20 | 0.36 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18274467 | 0.86 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL2782859 | 0.86 | SLC6A2 (0.52) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL2779689 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL2783237 | 0.78 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL1019672 | 0.76 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL18274501 | 0.75 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1 | |
| SCHEMBL15797534 | 0.75 | DPP4 (0.59) | ALDH1A1MAPTHTTSLC6A2LMNA | |
| SCHEMBL11154769 | 0.74 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL2781199 | 0.74 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2ACHEMAPTHTT | |
| SCHEMBL15797532 | 0.73 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MAPTHTTKDM4E |
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 |