Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25566965 | 0.87 | CHRM3 (0.43) | ALDH1A1BCHEACHECHRM2CHRM3 | |
| SCHEMBL25566962 | 0.82 | ACHE (0.39) | CYP2D6ALDH1A1ACHECHRM2CHRM3 | |
| SCHEMBL25566734 | 0.80 | FUCA1 (0.42) | ALDH1A1CHRM2CHRM3 | |
| SCHEMBL25566735 | 0.79 | ACHE (0.38) | ACHECHRM2CHRM3GAA | |
| SCHEMBL31091663 | 0.77 | CYP2D6 (0.42) | CYP2D6ALDH1A1ACHECHRM2CHRM3 | |
| SCHEMBL29937525 | 0.76 | CHRM3 (0.42) | CYP2D6ALDH1A1BCHEACHECHRM2 | |
| SCHEMBL29937437 | 0.75 | CHRM3 (0.41) | CYP2D6ALDH1A1CHRM2CHRM3GAA | |
| SCHEMBL25566963 | 0.75 | KDM1A (0.47) | CHRM2CHRM3SIGMAR1 | |
| SCHEMBL30998665 | 0.73 | KMT2A (0.42) | CYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL29936728 | 0.73 | KMT2A (0.43) | CYP2D6ALDH1A1BCHEACHECHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4442686-A1 | KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | Abbisko Therapeutics Co., Ltd (CN) | 2024-10-09 | — | — | EP | disclosed |
| WO-2023098425-A1 | KRAS INHIBITORS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 上海和誉生物医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |