Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19716497 | 1.00 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CRAB9AMAPT | |
| SCHEMBL1851645 | 0.83 | ADRA2A (0.42) | ADRA2AADRA2BADRA2CRAB9AMAPT | |
| SCHEMBL17820225 | 0.80 | RAB9A (0.43) | RAB9AMAPTNOS3NOS2CCR1 | |
| SCHEMBL1852826 | 0.79 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CRAB9AMAPT | |
| SCHEMBL22556882 | 0.78 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CRAB9AKDM4E | |
| SCHEMBL14950021 | 0.77 | CCR1 (0.48) | ADRA2AADRA2BADRA2CRAB9AMAPT | |
| SCHEMBL19717001 | 0.77 | APLNR (0.53) | ALDH1A1APLNR | |
| SCHEMBL19716796 | 0.77 | CACNA1I (0.44) | PLAUKDM4EALDH1A1PARP1 | |
| SCHEMBL1849854 | 0.76 | ADRA2A (0.38) | ADRA2AADRA2BADRA2CRAB9AMAPT | |
| SCHEMBL14584180 | 0.76 | MAPT (0.42) | ADRA2AADRA2BADRA2CRAB9AMAPT |
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-109563043-B | Substituted pyridines as inhibitors of DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2022-05-31 | — | — | CN | disclosed |