Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6266551 | 0.81 | CYP1A2 (0.70) | ALDH1A1KDM4ECYP2C9CYP2C19CYP1A2 | |
| SCHEMBL3220279 | 0.81 | RPS6KB1 (0.51) | ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL15797456 | 0.80 | KCNA5 (0.51) | ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL3554647 | 0.80 | RPS6KB1 (0.50) | ALDH1A1KDM4EHSD17B10CYP2C9CYP2C19 | |
| SCHEMBL3220273 | 0.78 | KCNA5 (0.50) | ALDH1A1CYP2C19CYP1A2KCNA5KCNN4 | |
| SCHEMBL15797569 | 0.77 | KCNA5 (0.52) | ALDH1A1CYP2C19CYP1A2KCNA5KCNN4 | |
| SCHEMBL17591689 | 0.76 | LMNA (0.54) | ALDH1A1CYP2C19HPGDKCNA5SMN1; SMN2 | |
| SCHEMBL11627280 | 0.75 | KCNA5 (0.50) | ALDH1A1KDM4EHSD17B10CYP2C19CYP1A2 | |
| SCHEMBL28068532 | 0.75 | MITF (0.48) | ALDH1A1KCNA5KCNN4SMN1; SMN2GFER | |
| SCHEMBL13423752 | 0.74 | KCNA5 (0.47) | ALDH1A1KDM4EHSD17B10CYP2C19CYP1A2 |
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-103687860-B | As P2X7Heterocyclic amide derivatives of receptor antagonists | 埃科特莱茵药品有限公司 | 2016-06-08 | — | — | CN | claimed |