Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.30 |
| ▸ | TACR3 | P29371 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL21652265 | 0.93 | KCNQ2 (0.34) | HTR2AFFAR4KCNQ2MAPTDPP4 | |
| SCHEMBL21652261 | 0.88 | MAPT (0.36) | FFAR4KCNQ2MAPTDPP4KCNH2 | |
| SCHEMBL21652277 | 0.81 | SLC10A1 (0.41) | HTR2AFFAR4BRS3 | |
| SCHEMBL21652180 | 0.78 | DPP4 (0.36) | FFAR4KCNQ2MAPTDPP4 | |
| SCHEMBL21652264 | 0.78 | DPP4 (0.38) | FFAR4KCNQ2MAPTDPP4AOC3 | |
| SCHEMBL21652160 | 0.77 | DPP4 (0.43) | KCNQ2MAPTDPP4 | |
| SCHEMBL23772891 | 0.75 | TACR1 (0.34) | FFAR4KCNQ2MAPTDPP4 | |
| SCHEMBL21652184 | 0.75 | ABL1 (0.44) | FFAR4MAPTDPP4 | |
| SCHEMBL21652182 | 0.74 | LMNA (0.41) | KCNQ2MAPTDPP4 | |
| SCHEMBL21652278 | 0.74 | SLC10A1 (0.42) | FFAR4 |
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-2020019911-A1 | BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF | 中国科学院兰州化学物理研究所苏州研究院 | 2020-01-30 | — | — | WO | disclosed |