Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | ARG2 | P78540 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6961255 | 1.00 | ATM (0.40) | ATMARG1ARG2PARP1CYP3A4 | |
| SCHEMBL9975294 | 0.84 | ATM (0.42) | ATMPARP1CYP2D6CHRM3SMN1; SMN2 | |
| SCHEMBL28249239 | 0.84 | ATM (0.42) | ATMPARP1CYP2D6CHRM3SMN1; SMN2 | |
| SCHEMBL26088863 | 0.80 | SMN1; SMN2 (0.50) | ATMCYP3A4CYP1A2CYP2D6CHRM2 | |
| SCHEMBL28249234 | 0.79 | NTMT1 (0.37) | ARG1ARG2CYP2D6NAMPTCHRM3 | |
| SCHEMBL29103884 | 0.78 | CHRM2 (0.40) | ATMCHRM2CHRM3 | |
| SCHEMBL28972352 | 0.78 | CHRM2 (0.40) | ATMCHRM2CHRM3 | |
| SCHEMBL3694792 | 0.77 | CYP3A4 (0.43) | ATMCYP3A4CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL3694790 | 0.77 | CYP3A4 (0.43) | ATMCYP3A4CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL13519661 | 0.77 | ARG1 (0.41) | ARG1ARG2PARP1CYP3A4CYP1A2 |
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-108727343-A | Quinazolinones PARP-1/2 inhibitor containing 3- amino nafoxidines and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-11-02 | — | — | CN | disclosed |