Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL628132 | 0.87 | — | — | |
| Magnesium SCHEMBL31150762 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL25886 | 0.82 | ALDH1A1 (0.44) | EPHX1ALDH1A1CYP1A2SMN1; SMN2SPHK2 | |
| SCHEMBL2754170 | 0.80 | ALDH1A1 (0.54) | EPHX1ALDH1A1CYP1A2SMN1; SMN2SPHK2 | |
| Acetonitrile SCHEMBL28143505 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL14779341 | 0.78 | ALDH1A1 (0.58) | EPHX1ALDH1A1CYP1A2SPHK2SPHK1 | |
| SCHEMBL3093222 | 0.78 | ALDH1A1 (0.58) | EPHX1ALDH1A1CYP1A2SPHK2SPHK1 | |
| SCHEMBL1668995 | 0.78 | ALDH1A1 (0.58) | EPHX1ALDH1A1CYP1A2SPHK2SPHK1 | |
| SCHEMBL6896512 | 0.78 | ALDH1A1 (0.58) | EPHX1ALDH1A1CYP1A2SPHK2SPHK1 | |
| SCHEMBL14779270 | 0.78 | ALDH1A1 (0.58) | EPHX1ALDH1A1CYP1A2SPHK2SPHK1 |
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-103562198-B | There is muscarinic receptor antagonist and the compound of beta 2-adrenergic receptor agonists activity | 奇斯药制品公司 | 2016-08-24 | — | — | CN | disclosed |