Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL14862969 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL5951384 | 0.75 | ALDH1A1 (0.43) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL28020963 | 0.74 | TRPA1 (0.54) | ALDH1A1TRPA1SLC18A3 | |
| SCHEMBL14363466 | 0.72 | ALDH1A1 (0.41) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL29620035 | 0.72 | DDB1 (0.36) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL28766998 | 0.69 | SLC18A3 (0.55) | ALDH1A1TRPA1SLC18A3 | |
| SCHEMBL12915408 | 0.69 | ALDH1A1 (0.38) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL12915394 | 0.68 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL18992619 | 0.68 | DDB1 (0.33) | ALDH1A1KDM4EHSD11B1DDB1CRBN | |
| SCHEMBL27800095 | 0.68 | CHRM2 (0.50) | ALDH1A1KDM4EDDB1CRBNGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023051302-A1 | HETEROCYCLIC COMPOUND HAVING CYCLIN-DEPENDENT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2023-04-06 | — | — | WO | disclosed |