Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27680432 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL7871674 | 0.73 | SMN1; SMN2 (0.82) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL30790338 | 0.73 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL28613806 | 0.71 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL5259296 | 0.71 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL5697246 | 0.71 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL2747664 | 0.71 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL1697463 | 0.71 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 | |
| SCHEMBL7559030 | 0.71 | CHRNA7 (1.00) | CHRNA7HTR3A | |
| SCHEMBL6161213 | 0.70 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2CHRNA7HTR3AMAPK1 |
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-105102449-B | Antiviral compound | 豪夫迈·罗氏有限公司 | 2017-06-13 | — | — | CN | disclosed |