Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28368564 | 0.84 | GAA (0.44) | HRH2GAASIGMAR1CMA1SMN1; SMN2 | |
| SCHEMBL27970986 | 0.82 | ALDH1A1 (0.55) | GAAKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL27970982 | 0.82 | ALDH1A1 (0.55) | GAAKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL27971106 | 0.82 | ALDH1A1 (0.55) | GAAKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL28101311 | 0.80 | ALDH1A1 (0.38) | KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL27572864 | 0.76 | F10 (0.33) | KDM4EALDH1A1 | |
| SCHEMBL14844570 | 0.73 | KDM4E (0.52) | HRH2GAACMA1KDM4EMEN1 | |
| SCHEMBL28364395 | 0.71 | CMA1 (0.44) | HRH2GAASIGMAR1CMA1KDM4E | |
| SCHEMBL4771166 | 0.70 | SIGMAR1 (0.58) | HRH2SIGMAR1SMN1; SMN2 | |
| SCHEMBL27719979 | 0.70 | SIGMAR1 (0.43) | HRH2GAASIGMAR1CMA1SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105175421-B | Midbody compound and application thereof for synthesis of selective NK-3 receptor antagonists | 欧歌达有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-103906750-B9 | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1, 2,4] triazolo [4, 3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | 欧洲筛选有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-103906750-B | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1, 2,4] triazolo [4, 3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | 欧洲筛选有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105175421-A | Novel chiral n-acyl-5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective nk-3 receptor antagonists, pharmaceutical composition, methods for use in nk-3 receptor mediated disorders and chiral synthesis thereof | EUROSCREEN SA | 2015-12-23 | — | — | CN | disclosed |
| CN-103906750-A | Novel chiral N-acyl-5, 6,7, (8-substituted) -tetrahydro- [1,2,4] triazolo [4,3-a ] pyrazines as selective NK-3 receptor antagonists, pharmaceutical compositions, methods for use in NK-3 receptor mediated diseases and chiral synthesis thereof | EUROSCREEN SA | 2014-07-02 | — | — | CN | disclosed |