Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10501432 | 0.82 | SMN1; SMN2 (0.49) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL30255476 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL9592454 | 0.76 | SMN1; SMN2 (0.70) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL140368 | 0.76 | CFTR (0.52) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL12919029 | 0.76 | ALDH1A1 (0.47) | SLC6A2SLC6A4SLC6A3LMNAL3MBTL1 | |
| SCHEMBL6505819 | 0.75 | SMN1; SMN2 (0.58) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL27273877 | 0.75 | SMN1; SMN2 (0.45) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL27266930 | 0.75 | SMN1; SMN2 (0.41) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL2423599 | 0.75 | SMN1; SMN2 (0.57) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR | |
| SCHEMBL12181377 | 0.75 | SMN1; SMN2 (0.57) | SMN1; SMN2SLC6A2SLC6A4SLC6A3CFTR |
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 |
|---|---|---|---|---|---|---|---|
| CN-104497086-B | Androstane-3 β, 5 α, 6 β, 19-tetrol and preparation method and application | 中山大学 | 2016-08-17 | — | — | CN | disclosed |