Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.58 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.58 |
| ▸ | KCND2 | Q9NZV8 | 5/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL670071 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL670256 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL15031952 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL670097 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL670771 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL13326771 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| SCHEMBL670098 | 1.00 | SLC6A4 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| Hydrochloric Acid SCHEMBL3338447 | 0.99 | KCNA5 (0.60) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| Oxalic Acid SCHEMBL669810 | 0.93 | SLC6A4 (0.56) | SLC6A4KCNA5SCN5AKCND2KCNH2 | |
| Oxalic Acid SCHEMBL669809 | 0.93 | SLC6A4 (0.56) | SLC6A4KCNA5SCN5AKCND2KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2606139-A2 | BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE | Codexis, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024104-A2 | BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE | CODEXIS, INC. (US) | 2012-02-23 | — | — | WO | disclosed |