Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1810815 | 0.84 | CYP3A4 (0.50) | CYP3A4ALDH1A1MAPTGAATHRB | |
| SCHEMBL2947899 | 0.78 | ALDH1A1 (0.36) | CYP3A4ALDH1A1MAPTMAPK14TSHR | |
| SCHEMBL4515950 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1MAPTTHRBTSHR | |
| SCHEMBL1808542 | 0.75 | TRPV4 (0.43) | CYP3A4ALDH1A1MAPTGAATHRB | |
| SCHEMBL29739381 | 0.75 | KDM4E (0.46) | CYP3A4ALDH1A1MAPTTHRBTSHR | |
| SCHEMBL30567328 | 0.73 | CA1 (0.36) | CYP3A4ALDH1A1MAPTGAAMAPK14 | |
| SCHEMBL20680954 | 0.73 | CA1 (0.36) | CYP3A4ALDH1A1MAPTGAAMAPK14 | |
| SCHEMBL14744340 | 0.71 | CYP3A4 (0.41) | CYP3A4ALDH1A1MAPTGAATHRB | |
| SCHEMBL16335716 | 0.71 | MAPK14 (0.38) | CYP3A4ALDH1A1MAPTGAAMAPK14 | |
| SCHEMBL12145447 | 0.71 | CYP3A4 (0.37) | CYP3A4ALDH1A1THRBTSHRMDM4 |
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 |