Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 8/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11464268 | 0.84 | ACHE (0.57) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2784285 | 0.83 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL18274505 | 0.82 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL9162336 | 0.80 | ALDH1A1 (0.83) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL18274501 | 0.80 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL9168254 | 0.78 | ACHE (0.64) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2783237 | 0.76 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2778767 | 0.76 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL15797545 | 0.76 | ACHE (0.48) | ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E | |
| SCHEMBL2781893 | 0.76 | 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 |