Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28721577 | 1.00 | NR1H2 (0.46) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28721578 | 1.00 | NR1H2 (0.46) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28720772 | 0.86 | NR1H2 (0.43) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28320681 | 0.86 | NR1H2 (0.43) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL26030701 | 0.86 | NR1H2 (0.43) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28721924 | 0.83 | NR1H2 (0.48) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28938073 | 0.83 | NR1H2 (0.48) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28721922 | 0.83 | NR1H2 (0.48) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28721927 | 0.83 | NR1H2 (0.41) | NR1H2MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL28721925 | 0.83 | NR1H2 (0.41) | NR1H2MEN1ALDH1A1MAPTKMT2A |
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 |