Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 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 | |
|---|---|---|---|---|
| SCHEMBL19433368 | 0.71 | APP (0.43) | ALDH1A1KITALOX15ADORA2AADORA2B | |
| SCHEMBL29765813 | 0.70 | ALDH1A1 (0.48) | ALDH1A1KITHTR5AALOX15ADORA2A | |
| SCHEMBL28456512 | 0.70 | ALDH1A1 (0.48) | ALDH1A1KITHTR5AALOX15ADORA2A | |
| SCHEMBL16013714 | 0.68 | CYP3A4 (0.39) | ALDH1A1ALOX15ADORA2ACYP3A4GAA | |
| SCHEMBL16395977 | 0.68 | ALDH1A1 (0.41) | ALDH1A1KITADORA2AIDO1AGXT | |
| SCHEMBL14744345 | 0.68 | RORC (0.45) | ALDH1A1ADORA2ACYP3A4 | |
| SCHEMBL14747029 | 0.68 | AR (0.38) | ALDH1A1GAA | |
| SCHEMBL29646646 | 0.67 | ALDH1A1 (0.48) | ALDH1A1KITADORA2AIDO1AGXT | |
| SCHEMBL21819775 | 0.67 | ALDH1A1 (0.48) | ALDH1A1KITADORA2AIDO1AGXT | |
| SCHEMBL14744163 | 0.67 | CYP3A4 (0.42) | ALDH1A1CYP3A4MAPK14MAPK13MAPK12 |
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-115490709-A | KRASG12D inhibitor and application thereof in medicine | 四川海思科制药有限公司 | 2022-12-20 | — | — | CN | disclosed |