Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31662360 | 0.82 | ALDH1A1 (0.40) | NQO2ALDH1A1CYP3A4ESPL1GLS | |
| SCHEMBL28920240 | 0.78 | RAB9A (0.44) | NQO2ALDH1A1CYP3A4ESPL1GLS | |
| SCHEMBL29730504 | 0.76 | ALDH1A1 (0.44) | ALDH1A1GLSMAPTHTTPOLB | |
| SCHEMBL31304574 | 0.75 | GLS (0.55) | ALDH1A1CYP3A4GLSTSHRMAPT | |
| SCHEMBL5352816 | 0.75 | GLS (0.55) | ALDH1A1CYP3A4GLSTSHRMAPT | |
| SCHEMBL28920149 | 0.73 | GAA (0.34) | MAPTCHEK1DAPK3LIMK1 | |
| SCHEMBL29534076 | 0.72 | KMT2A (0.38) | ALDH1A1CYP3A4GLSTSHRMAPT | |
| SCHEMBL22939501 | 0.72 | KDM4E (0.42) | TSHRPOLBKMT2A | |
| SCHEMBL31510404 | 0.72 | GLS (0.45) | ALDH1A1CYP3A4GLSTSHRMAPT | |
| SCHEMBL2144733 | 0.72 | GLS (0.45) | ALDH1A1CYP3A4GLSTSHRMAPT |
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 |