Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3677950 | 0.80 | MEN1 (0.51) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL9508340 | 0.78 | MAOA (0.35) | KMT2AMEN1 | |
| SCHEMBL3669619 | 0.78 | CMA1 (0.48) | DAOKMT2ADHFRMEN1 | |
| SCHEMBL549018 | 0.75 | MAOA (0.35) | DAOKMT2AMEN1 | |
| SCHEMBL2095593 | 0.74 | CA2 (1.00) | CA2ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL3671509 | 0.74 | AR (0.46) | DAOALDH1A1KDM4EHTTMAPT | |
| SCHEMBL3675112 | 0.74 | DAO (0.41) | DAOALDH1A1HTTMAPT | |
| SCHEMBL3470062 | 0.72 | CA2 (0.54) | CA2DAOALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL3673529 | 0.71 | MAPT (0.46) | ALDH1A1KDM4EDHFRHTTMAPT | |
| SCHEMBL29449205 | 0.70 | CA2 (0.91) | CA2ALDH1A1CYP3A4CYP2C9TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104059013-B | 1-aryl-3-azabicyclo [3.1.0] hexane: its preparation method and for treating the purposes of neuropsychiatric disorders | 尤西米克斯生物科学公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-104059013-A | Novel 1-aryl-3-azabicyclo[3.1.0]hexanes: Preparation And Use To Treat Neuropsychiatric Disorders | DOV PHARMACEUTICAL INC | 2014-09-24 | — | — | CN | disclosed |
| EP-2307412-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002956-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-07 | — | — | WO | disclosed |