Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27920142 | 1.00 | KDM1A (0.42) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL9555968 | 0.95 | KDM1A (0.39) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL9555964 | 0.95 | KDM1A (0.39) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL17799313 | 0.93 | KDM1A (0.45) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL31571443 | 0.93 | KDM1A (0.45) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL9150818 | 0.87 | HTR2A (0.35) | KDM1AABCC9KCNJ11 | |
| SCHEMBL31571444 | 0.86 | KDM1A (0.46) | KDM1ARCOR1KCNH2KDM1BABCC9 | |
| SCHEMBL27920141 | 0.84 | SLC6A2 (0.35) | — | |
| SCHEMBL27938626 | 0.84 | SLC6A2 (0.35) | — | |
| SCHEMBL9785326 | 0.83 | ALDH1A1 (0.35) | KDM1A |
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-103342693-A | Preparation method of trans-2(4-hologenated-3-fluorophenyl)-5-alkyl-[1,3] dioxane | SHANGHAI CHEMSPEC INTERNAT LTD | 2013-10-09 | — | — | CN | disclosed |