Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.66 |
| ▸ | NPC1 | O15118 | 6/20 | 0.66 |
| ▸ | RAB9A | P51151 | 6/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.62 |
| ▸ | MEN1 | O00255 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.48 |
| ▸ | RAB7A | P51149 | 2/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAB2A | P61019 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696655 | 0.82 | NPC1 (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2643514 | 0.80 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL15281315 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL2644794 | 0.77 | MAPK10 (0.72) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2644228 | 0.77 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL4693720 | 0.76 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2644393 | 0.74 | L3MBTL1 (0.67) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2643746 | 0.74 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL4693771 | 0.72 | PTPN5 (0.63) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL2643479 | 0.72 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9ATP53 |
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-1620425-B1 | SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-12-24 | — | — | EP | claimed |