Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 3/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27720413 | 0.85 | MT-CO2 (0.42) | MT-CO2SLC6A3PTGS2ALDH1A1SIGMAR1 | |
| SCHEMBL3526596 | 0.81 | MAPT (0.46) | SLC6A3PTGS2PTGS1ALDH1A1SLC6A2 | |
| SCHEMBL5225774 | 0.79 | HTR2C (0.37) | MT-CO2ALDH1A1MAPT | |
| SCHEMBL5793895 | 0.79 | PTGS2 (0.42) | PTGS2BRD4ALDH1A1MAPT | |
| SCHEMBL3519376 | 0.79 | MAPK14 (0.41) | PTGS2PTGS1ALDH1A1MAPT | |
| SCHEMBL679561 | 0.78 | NPC1 (0.47) | ALDH1A1MAPT | |
| SCHEMBL3961649 | 0.76 | ALDH1A1 (0.57) | SLC6A3PTGS2PTGS1BRD4ALDH1A1 | |
| SCHEMBL11279823 | 0.75 | MAPK14 (0.41) | MT-CO2ALDH1A1SIGMAR1MAPT | |
| SCHEMBL31678600 | 0.75 | PTGS2 (0.45) | PTGS2PTGS1BRD4 | |
| SCHEMBL31678725 | 0.75 | SLC6A2 (0.42) | SLC6A2 |
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-114574883-A | Method for deoxidizing, hydrogenating and deuterating alpha, beta-unsaturated aldehyde ketone into corresponding olefin and deuterated olefin | 南京中医药大学 | 2022-06-03 | — | — | CN | disclosed |