Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29571928 | 0.91 | CYP46A1 (0.46) | SLC6A4CYP46A1CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL1087370 | 0.91 | CYP46A1 (0.46) | SLC6A4CYP46A1CYP2D6SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL28636853 | 0.90 | CYP46A1 (0.45) | SLC6A4CYP46A1CYP2D6SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL20137891 | 0.90 | CYP46A1 (0.45) | SLC6A4CYP46A1CYP2D6SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL28023820 | 0.80 | CYP46A1 (0.40) | SLC6A4CYP46A1CYP2D6SLC6A2SLC6A3 | |
| SCHEMBL27942394 | 0.74 | SLC6A4 (0.44) | SLC6A4CYP2D6SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL20070184 | 0.74 | CYP46A1 (0.56) | CYP46A1CYP1A2LMNAGAAGRIN2B | |
| SCHEMBL30273002 | 0.74 | PKLR (0.39) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL20069006 | 0.74 | CYP2D6 (0.43) | SLC6A4CYP2D6SLC6A2SLC6A3L3MBTL1 | |
| SCHEMBL16129840 | 0.74 | PKLR (0.39) | ALDH1A1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106562966-B | Purposes of the compound in anti-posttraumatic stress disorder | 中国人民解放军军事医学科学院毒物药物研究所 | 2019-07-16 | — | — | CN | disclosed |
| CN-106562966-A | Application of compound in resisting post-traumatic stress disorders | 中国人民解放军军事医学科学院毒物药物研究所 | 2017-04-19 | — | — | CN | disclosed |