Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | BRD4 | O60885 | 7/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.32 |
| ▸ | FEN1 | P39748 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20159919 | 0.88 | BRD4 (0.47) | ATMMAOAMAOBBRD4GRM5 | |
| SCHEMBL20160256 | 0.81 | BRD4 (0.38) | ATMMAOAMAOBBRD4GRM5 | |
| SCHEMBL372282 | 0.70 | ATM (0.58) | ATMMAOAMAOBGRM5TDP2 | |
| Hydrochloric Acid SCHEMBL14890696 | 0.68 | ATM (0.56) | ATMMAOAMAOBGRM5TDP2 | |
| SCHEMBL20159920 | 0.68 | BRD4 (0.48) | ATMBRD4MAPK14 | |
| SCHEMBL29535893 | 0.67 | GRM5 (0.63) | MAOAMAOBGRM5TDP2MEN1 | |
| SCHEMBL1953630 | 0.67 | GRM5 (0.63) | MAOAMAOBGRM5TDP2MEN1 | |
| SCHEMBL15549928 | 0.66 | BRD4 (0.53) | BRD4 | |
| SCHEMBL28475420 | 0.65 | BRD4 (0.47) | BRD4MAPK14 | |
| SCHEMBL20160288 | 0.65 | BRD4 (0.46) | BRD4MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |