Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17467699 | 0.83 | CHRM1 (0.38) | CHRM1DRD3SLC6A9 | |
| SCHEMBL28721916 | 0.81 | PARP1 (0.39) | PARP1PARP2CHRM1DRD3SLC6A9 | |
| SCHEMBL28722116 | 0.80 | NR1H2 (0.40) | PARP1PARP2ALDH1A1KMT2AMEN1 | |
| SCHEMBL28720764 | 0.80 | NR1H2 (0.40) | PARP1PARP2ALDH1A1KMT2AMEN1 | |
| SCHEMBL28720765 | 0.80 | NR1H2 (0.40) | PARP1PARP2ALDH1A1KMT2AMEN1 | |
| SCHEMBL17467697 | 0.75 | DRD3 (0.40) | CHRM1DRD3SLC6A9 | |
| SCHEMBL28719987 | 0.75 | CHRM1 (0.42) | PARP1PARP2ALDH1A1CHRM1GBA1 | |
| SCHEMBL13451573 | 0.75 | DRD3 (0.40) | CHRM1DRD3SLC6A9 | |
| SCHEMBL28719989 | 0.75 | CHRM1 (0.42) | PARP1PARP2ALDH1A1CHRM1GBA1 | |
| SCHEMBL23860181 | 0.73 | DRD3 (0.39) | ALDH1A1CHRM1DRD3SLC6A9 |
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-110088098-B | Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |