Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CDC7 | O00311 | 2/20 | 0.47 |
| ▸ | PLK4 | O00444 | 2/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.47 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.47 |
| ▸ | PRKCG | P05129 | 2/20 | 0.47 |
| ▸ | ROS1 | P08922 | 2/20 | 0.47 |
| ▸ | KIT | P10721 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 2/20 | 0.47 |
| ▸ | PHKG2 | P15735 | 2/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | AKT2 | P31751 | 2/20 | 0.47 |
| ▸ | MATK | P42679 | 2/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.47 |
| ▸ | BLK | P51451 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9415611 | 1.00 | PARP1 (0.65) | PARP1TP53DAOKDM4ECDC7 | |
| SCHEMBL9415217 | 0.87 | TP53 (0.68) | PARP1TP53DAOKDM4ECDC7 | |
| SCHEMBL2429766 | 0.81 | PARP1 (0.65) | PARP1TP53DAOCDC7PLK4 | |
| SCHEMBL9415645 | 0.81 | PARP1 (0.65) | PARP1TP53DAOCDC7PLK4 | |
| SCHEMBL22046017 | 0.81 | TP53 (0.77) | PARP1TP53CDC7PLK4MAPK13 | |
| SCHEMBL28946279 | 0.80 | PARP1 (0.59) | PARP1TP53KDM4ECDC7PLK4 | |
| SCHEMBL29673205 | 0.79 | PARP1 (1.00) | PARP1TP53DAOKDM4ECDC7 | |
| SCHEMBL1133601 | 0.79 | PARP1 (1.00) | PARP1TP53DAOKDM4ECDC7 | |
| SCHEMBL3335735 | 0.77 | PARP1 (0.59) | PARP1TP53CDC7PLK4MAPK13 | |
| SCHEMBL21755742 | 0.77 | PARP1 (0.59) | PARP1TP53KDM4ECDC7PLK4 |
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-114560862-A | Synthesis method of pyrrolo [1,2-A ] quinoxaline-4 (5H) -ketone and derivative thereof | 山东龙辰药业有限公司 | 2022-05-31 | — | — | CN | disclosed |