Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 6/20 | 0.36 |
| ▸ | FABP3 | P05413 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28097260 | 0.87 | BRD4 (0.41) | BRD4SIRT1ALDH1A1ALOX15TRPA1 | |
| SCHEMBL28097306 | 0.74 | PTGER4 (0.39) | TTRMRGPRX4ALDH1A1 | |
| SCHEMBL28097300 | 0.74 | ALDH1A1 (0.39) | BRD4SIRT1ALDH1A1SIRT2 | |
| SCHEMBL31227713 | 0.69 | MRGPRX4 (0.42) | MRGPRX4FABP3ALDH1A1 | |
| SCHEMBL1645358 | 0.69 | ALDH1A1 (0.50) | MRGPRX4FABP3FABP4ALDH1A1 | |
| SCHEMBL28234956 | 0.67 | P2RX4 (0.34) | ALDH1A1 | |
| SCHEMBL27762359 | 0.67 | KDM4E (0.40) | ALDH1A1ALOX15 | |
| SCHEMBL30701130 | 0.67 | ALDH1A1 (0.48) | MRGPRX4ALDH1A1ALOX15 | |
| SCHEMBL1401459 | 0.66 | MRGPRX4 (0.49) | MRGPRX4ALDH1A1ALOX15 | |
| SCHEMBL4238088 | 0.66 | KAT6A (0.54) | MRGPRX4ALDH1A1ALOX15 |
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-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |