Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PPM1B | O75688 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL27505328 | 0.89 | SMN1; SMN2 (0.66) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL17566 | 0.89 | — | — | |
| SCHEMBL15443235 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL29058069 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL30542347 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL23458811 | 0.86 | SMN1; SMN2 (0.62) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL18552 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL1818944 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| SCHEMBL12326212 | 0.86 | SMN1; SMN2 (0.68) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 | |
| Ammonia Solution, Strong SCHEMBL6014426 | 0.86 | SMN1; SMN2 (0.62) | SMN1; SMN2POLBTP53ALDH1A1CHRNB2 |
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-104583197-B | New bicyclicpyridine derivatives | 霍夫曼-拉罗奇有限公司 | 2017-05-17 | — | — | CN | disclosed |