Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CBX7 | O95931 | 1/20 | 0.33 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.33 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.33 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| N-Nitrosomorpholine SCHEMBL1578515 | 0.77 | — | — | |
| SCHEMBL26112778 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL3168997 | 0.77 | — | — | |
| SCHEMBL26112782 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1KDM4E | |
| N-Nitrosomorpholine SCHEMBL26048320 | 0.77 | — | — | |
| N-Nitrosomorpholine SCHEMBL27520827 | 0.77 | CA12 (0.39) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL18650423 | 0.75 | L3MBTL1 (0.38) | L3MBTL3L3MBTL1ALDH1A1KDM4EACHE | |
| SCHEMBL16877830 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL4295582 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL14862483 | 0.74 | SMN1; SMN2 (0.50) | SMN1; SMN2L3MBTL3L3MBTL1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |