Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 3/20 | 0.31 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.31 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025932 | 0.81 | SLC6A3 (0.42) | SLC6A3HTTADRA1AKDM4EPKM | |
| SCHEMBL8630959 | 0.78 | ALDH1A1 (0.41) | SLC6A3KDM4EPKMTSHRGLS | |
| SCHEMBL27743650 | 0.77 | SLC6A3 (0.43) | SLC6A3HTTKDM4EPKMSLC6A2 | |
| SCHEMBL14962409 | 0.77 | SLC6A3 (0.40) | SLC6A3HTTKDM4EPKMKMT2A | |
| SCHEMBL12180158 | 0.77 | SLC6A3 (0.39) | SLC6A3HTTADRA1AKDM4EPKM | |
| SCHEMBL14962410 | 0.75 | HTT (0.43) | SLC6A3HTTADRA1AHTR1AADRA1D | |
| SCHEMBL14962416 | 0.75 | SLC6A3 (0.41) | SLC6A3ADRA1AHTR1AADRA1DADRA1B | |
| SCHEMBL9026489 | 0.75 | SLC6A3 (0.39) | SLC6A3KDM4EPKMTSHRGLS | |
| SCHEMBL14962433 | 0.73 | HTT (0.41) | SLC6A3HTTADRA1AKDM4ESCN1A | |
| SCHEMBL9025789 | 0.73 | SLC6A3 (0.37) | SLC6A3KDM4EPKMTSHRGLS |
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 |
|---|---|---|---|---|---|---|---|
| CN-104418822-B | Compound with xanthine oxidase inhibitory activity and application thereof | 南京华威医药科技开发有限公司 | 2016-12-28 | — | — | CN | disclosed |