Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7048608 | 0.80 | PTGS2 (0.47) | ALDH1A1KDM4EMAPTCYP3A4CA1 | |
| SCHEMBL27763635 | 0.78 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL16364575 | 0.74 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL3457181 | 0.74 | ALDH1A1 (0.70) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL27975315 | 0.74 | ERN1 (0.41) | ALDH1A1KDM4ECYP1A2CA1CA2 | |
| SCHEMBL12776980 | 0.73 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL27763633 | 0.72 | NR4A1 (0.62) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL11376870 | 0.72 | TAAR1 (0.53) | CYP1A2 | |
| SCHEMBL31456004 | 0.72 | HMGCR (0.49) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL2390691 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4ECYP1A2 |
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-104649879-B | Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application | 中国人民解放军第二军医大学 | 2017-01-04 | — | — | CN | claimed |
| CN-104649879-A | Substituted benzylidene tetralone derivatives and preparation method and applications | UNIV PLA 2ND MILITARY MEDICAL | 2015-05-27 | — | — | CN | claimed |
| CN-104649879-B | Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application | 中国人民解放军第二军医大学 | 2017-01-04 | — | — | CN | disclosed |
| CN-104649879-A | Substituted benzylidene tetralone derivatives and preparation method and applications | UNIV PLA 2ND MILITARY MEDICAL | 2015-05-27 | — | — | CN | disclosed |