Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.36 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28720765 | 1.00 | NR1H2 (0.40) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28722116 | 1.00 | NR1H2 (0.40) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL1499106 | 0.86 | GPR119 (0.41) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28721919 | 0.84 | NR1H2 (0.40) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28721921 | 0.84 | NR1H2 (0.40) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28722427 | 0.84 | NR1H2 (0.40) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL13442980 | 0.81 | NR1H2 (0.44) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL17477191 | 0.81 | NR1H2 (0.44) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL17477192 | 0.81 | NR1H2 (0.44) | NR1H2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL28722176 | 0.80 | PARP1 (0.39) | ALDH1A1MEN1KMT2APARP1PARP2 |
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 |