Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24698005 | 0.89 | ADRA2A (0.42) | ADRA2AKDM4CHTR2ADRD2DRD3 | |
| SCHEMBL28449906 | 0.81 | ADRA2A (0.47) | ADRA2AKDM4CHTR2ALMNAMAPT | |
| SCHEMBL16794282 | 0.76 | KDM4C (0.47) | ADRA2AKDM4CTRPV1HSD17B2MAOB | |
| SCHEMBL23976524 | 0.76 | KDM4C (0.42) | ADRA2AKDM4CHTR2ATRPV1HSD17B2 | |
| SCHEMBL1530500 | 0.75 | GRIA2 (0.44) | TRPV1CA2MAOB | |
| SCHEMBL6337557 | 0.72 | DRD2 (0.42) | HTR2ADRD2DRD3HTTCA2 | |
| SCHEMBL19889279 | 0.72 | ADRA2A (0.50) | ADRA2AKDM4CHTR2ALMNAMAPT | |
| SCHEMBL27898816 | 0.72 | ALDH1A1 (0.46) | ADRA2AKDM4CALDH1A1 | |
| SCHEMBL16814170 | 0.72 | AAK1 (0.41) | ADRA2AKDM4CTRPV1HSD17B2 | |
| SCHEMBL15897694 | 0.69 | KDM4C (0.43) | ADRA2AKDM4CLMNAMAPTHTT |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |