Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27700221 | 0.99 | CYP3A4 (0.58) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL1537285 | 0.82 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL163444 | 0.82 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28331180 | 0.81 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL153062 | 0.81 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Histidine SCHEMBL2521480 | 0.80 | CYP3A4 (0.82) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL28554819 | 0.80 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL5503979 | 0.80 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL3846866 | 0.80 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL29074018 | 0.80 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 |
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-106459144-A | Amide compounds, methods of production and uses thereof | 制药有限责任公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-1511258-A | Method and kit for following neurodegenerative diseases | GEMAC | 2004-07-07 | — | — | CN | disclosed |