Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19821852 | 1.00 | BCHE (0.39) | BCHEACHEKDM4EMCL1LMNA | |
| SCHEMBL25112120 | 0.81 | RAB9A (0.38) | BCHEACHEKDM4EMCL1LMNA | |
| SCHEMBL21378725 | 0.81 | CTSD (0.41) | KDM4ELMNANR1I3 | |
| SCHEMBL21306881 | 0.81 | BCHE (0.35) | BCHEACHEMCL1LMNACYP2D6 | |
| SCHEMBL24906741 | 0.81 | BCHE (0.35) | BCHEACHEMCL1LMNACYP2D6 | |
| SCHEMBL19821932 | 0.81 | ALDH1A1 (0.32) | KDM4ENR1I3 | |
| SCHEMBL10263889 | 0.80 | BCHE (0.37) | BCHEACHEKDM4EMCL1LMNA | |
| SCHEMBL9735647 | 0.79 | BCHE (0.39) | BCHEACHEKDM4EMCL1LMNA | |
| SCHEMBL9911442 | 0.79 | — | — | |
| SCHEMBL19821907 | 0.79 | LMNA (0.39) | BCHEACHEMCL1LMNAPOLB |
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-2023001069-A1 | MACROCYCLIC AMIDE COMPOUNDS AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-26 | — | — | WO | disclosed |