Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7343370 | 0.79 | CYP1A2 (0.50) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL29699898 | 0.75 | SIGMAR1 (0.48) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL14452876 | 0.75 | SIGMAR1 (0.48) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL4323285 | 0.75 | CYP1A2 (0.53) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL29792666 | 0.75 | CYP1A2 (0.53) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL20718539 | 0.74 | MAOA (0.50) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL11265174 | 0.72 | SIGMAR1 (0.57) | MAOAMAOBCDC25BPDE3BPDE3A | |
| SCHEMBL2877256 | 0.72 | MAOA (0.53) | MAOAMAOBCDC25BCYP1A2SIGMAR1 | |
| SCHEMBL31128508 | 0.72 | MAOA (0.53) | MAOAMAOBCDC25BCYP1A2SIGMAR1 | |
| SCHEMBL8936257 | 0.71 | SIGMAR1 (0.32) | MAOAMAOBCYP1A2SIGMAR1CYP11B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108640914-B | Method for synthesizing isoindole [2,1-b ] isoquinoline-5, 7-diketone compound | 河南师范大学 | 2020-07-31 | — | — | CN | claimed |
| CN-108467393-B | Method for synthesizing isoindole [2,1-b ] isoquinoline-5, 7-diketone compounds by three components in one pot | 河南师范大学 | 2020-06-02 | — | — | CN | claimed |
| CN-108467393-A | The method of one pot of three component synthesis iso-indoles [2,1-b] isoquinolin -5,7- cyclohexadione compounds | 河南师范大学 | 2018-08-31 | — | — | CN | disclosed |
| US-5733918-A | ANTITUMOR AGENT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-03-31 | — | — | US | disclosed |
| US-5710162-A | ANTITUMOR AGENTS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-01-20 | — | — | US | disclosed |