Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.52 |
| ▸ | MAOB | P27338 | 6/20 | 0.52 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.51 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.51 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | TGM2 | P21980 | 6/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | PRKACA | P17612 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500536 | 1.00 | MAOA (0.52) | MAOAMAOBPDE3BPDE3ACES1 | |
| SCHEMBL562478 | 0.83 | PDE3B (0.56) | MAOAMAOBPDE3BPDE3ACES1 | |
| SCHEMBL2344184 | 0.73 | SMN1; SMN2 (0.61) | TGM2GSK3B | |
| SCHEMBL2344188 | 0.73 | SMN1; SMN2 (0.61) | TGM2GSK3B | |
| SCHEMBL6480632 | 0.72 | SMN1; SMN2 (0.50) | MAOAMAOBPDE3BPDE3ACDC7 | |
| SCHEMBL6480637 | 0.72 | SMN1; SMN2 (0.50) | MAOAMAOBPDE3BPDE3ACDC7 | |
| Isatin SCHEMBL4092377 | 0.71 | MAOA (0.95) | MAOAMAOBCES1TGM2GSK3B | |
| SCHEMBL31318 | 0.71 | GSK3B (0.50) | MAOAMAOBPDE3BPDE3ACDC25B | |
| Isatin SCHEMBL25309042 | 0.71 | MAOA (0.74) | MAOAMAOBPDE3BPDE3ATGM2 | |
| SCHEMBL30824145 | 0.69 | MAOA (0.39) | MAOAMAOBPDE3BPDE3ACDC25B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4143182-A1 | NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | Rhizen Pharmaceuticals AG (CH) | 2023-03-08 | — | — | EP | disclosed |
| CN-113461679-B | Synthesis of benzazepine isatin compound | 石药集团中奇制药技术（石家庄）有限公司 | 2022-09-30 | — | — | CN | disclosed |