Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | DDX3X | O00571 | 2/20 | 0.54 |
| ▸ | BTK | Q06187 | 10/20 | 0.48 |
| ▸ | BLK | P51451 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065290 | 0.85 | MEN1 (0.61) | ALDH1A1SMN1; SMN2KDM4EMAPTKCNK3 | |
| SCHEMBL22066357 | 0.85 | HDAC8 (0.58) | MAPTKCNK3KCNK9MEN1KMT2A | |
| SCHEMBL22025447 | 0.85 | PTGS1 (0.55) | ALDH1A1SMN1; SMN2PTGS1DDX3XBTK | |
| SCHEMBL22065294 | 0.84 | KCNK3 (0.58) | ALDH1A1SMN1; SMN2KDM4EMAPTKCNK3 | |
| SCHEMBL22065293 | 0.84 | MAOB (0.53) | ALDH1A1SMN1; SMN2KDM4EMAPTKCNK3 | |
| SCHEMBL22065295 | 0.84 | KCNK3 (0.58) | SMN1; SMN2KCNK3KCNK9MEN1KMT2A | |
| SCHEMBL22065405 | 0.82 | RXFP1 (0.67) | ALDH1A1SMN1; SMN2KDM4EMAPTKCNK3 | |
| SCHEMBL16430819 | 0.81 | NPC1 (0.62) | ALDH1A1SMN1; SMN2PTGS1DDX3XBTK | |
| SCHEMBL22065302 | 0.81 | KIT (0.71) | KDM4EMAPTKCNK3KCNK9MEN1 | |
| SCHEMBL29568808 | 0.80 | PTGS1 (0.79) | ALDH1A1SMN1; SMN2PTGS1DDX3XMAPT |
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-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |