Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 1/20 | 0.60 |
| ▸ | XDH | P47989 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28050837 | 0.90 | CYP3A4 (0.65) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| SCHEMBL271340 | 0.87 | CYP3A4 (0.77) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| SCHEMBL29923659 | 0.87 | CYP3A4 (0.77) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| Nitric Acid SCHEMBL4907401 | 0.86 | CYP3A4 (0.71) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| SCHEMBL8425555 | 0.85 | CYP3A4 (0.75) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| Silver SCHEMBL11230934 | 0.85 | CYP3A4 (0.75) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| Alcohol SCHEMBL28252889 | 0.85 | CYP3A4 (0.65) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| Dimethyl Sulfoxide SCHEMBL28289766 | 0.83 | CYP3A4 (0.67) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| Dimethylformamide SCHEMBL11127603 | 0.81 | CYP3A4 (0.63) | CYP3A4NAMPTXDHALDH1A1PARP1 | |
| SCHEMBL7353332 | 0.80 | CYP3A4 (0.55) | CYP3A4NAMPTXDHALDH1A1PARP1 |
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-1113915-A | Chemical compounds | SMITHKLINE BEECHAM CORP (US) | 1995-12-27 | — | — | CN | disclosed |