Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23515363 | 1.00 | CYP2A6 (0.48) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL29625661 | 0.87 | FYN (0.46) | ALDH1A1CYP3A4CYP1A2MKNK1MKNK2 | |
| SCHEMBL23515365 | 0.87 | FYN (0.46) | ALDH1A1CYP3A4CYP1A2MKNK1MKNK2 | |
| SCHEMBL23515203 | 0.81 | PRKCI (0.42) | ALDH1A1CYP3A4CYP11B1CYP11B2KDM4E | |
| SCHEMBL18528875 | 0.81 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2MKNK1 | |
| SCHEMBL29625697 | 0.81 | PRKCI (0.42) | ALDH1A1CYP3A4CYP11B1CYP11B2KDM4E | |
| SCHEMBL11206474 | 0.79 | HSD17B10 (0.60) | ALDH1A1CYP1A2HPGDHSD17B10CYP2C9 | |
| SCHEMBL30070521 | 0.79 | ALDH1A1 (0.60) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| SCHEMBL1155160 | 0.79 | ALDH1A1 (0.60) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 | |
| Hydrochloric Acid SCHEMBL21412299 | 0.77 | ALDH1A1 (0.58) | CYP2A6ALDH1A1CYP3A4CYP1A2CYP11B1 |
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-114401935-A | Ion channel antagonists/blockers and uses thereof | 上海市东方医院（同济大学附属东方医院） | 2022-04-26 | — | — | CN | disclosed |