Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 8/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 8/20 | 0.41 |
| ▸ | PARP1 | P09874 | 4/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL28613419 | 1.00 | ADORA3 (0.42) | ADORA3TNKSTNKS2PARP1PARP2 | |
| SCHEMBL29827709 | 0.84 | ALDH1A1 (0.41) | TNKSTNKS2PARP1PARP2CSNK2A2 | |
| SCHEMBL28613470 | 0.81 | TUBB4A (0.47) | TNKSTNKS2PARP1PARP2CSNK2A2 | |
| SCHEMBL29827275 | 0.81 | TUBB4A (0.47) | TNKSTNKS2PARP1PARP2CSNK2A2 | |
| SCHEMBL29842180 | 0.75 | PDGFRB (0.49) | TNKSTNKS2PARP1PARP2KMT2A | |
| SCHEMBL28619589 | 0.75 | PDGFRB (0.49) | TNKSTNKS2PARP1PARP2KMT2A | |
| SCHEMBL4980044 | 0.74 | PDE5A (0.45) | TNKSTNKS2PARP2CYP19A1NQO2 | |
| SCHEMBL4981854 | 0.72 | PDE5A (0.51) | TNKSTNKS2PARP1CYP19A1NQO2 | |
| SCHEMBL25921900 | 0.71 | TNKS (0.46) | TNKSTNKS2PARP1PARP2GUSB | |
| SCHEMBL4987382 | 0.70 | PDE5A (0.42) | CYP19A1NQO2KDM4EALDH1A1PDE5A |
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-113292547-B | 2-aromatic heterocyclic quinazoline ketone compound and preparation method and application thereof | 南方医科大学 | 2022-08-16 | — | — | CN | disclosed |