Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9975294 | 1.00 | ATM (0.42) | ATMBCHEPARP1CHRM3SMN1; SMN2 | |
| SCHEMBL3696868 | 0.90 | BCHE (0.48) | BCHEPARP1SMN1; SMN2KDM2BCYP2D6 | |
| SCHEMBL3687879 | 0.90 | BCHE (0.48) | BCHEPARP1SMN1; SMN2KDM2BCYP2D6 | |
| SCHEMBL26088863 | 0.86 | SMN1; SMN2 (0.50) | ATMBCHECHRM3SMN1; SMN2CYP2D6 | |
| SCHEMBL28249223 | 0.84 | ATM (0.40) | ATMPARP1CHRM3SMN1; SMN2CYP2D6 | |
| SCHEMBL6961255 | 0.84 | ATM (0.40) | ATMPARP1CHRM3SMN1; SMN2CYP2D6 | |
| SCHEMBL28972352 | 0.81 | CHRM2 (0.40) | ATMBCHECHRM3 | |
| SCHEMBL29103884 | 0.81 | CHRM2 (0.40) | ATMBCHECHRM3 | |
| SCHEMBL27762899 | 0.80 | CHRM3 (0.49) | BCHECHRM3 | |
| SCHEMBL27675066 | 0.79 | SMN1; SMN2 (0.58) | ATMBCHECHRM3SMN1; SMN2 |
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 |