Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | POLA1 | P09884 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CDK16 | Q00536 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 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 | |
|---|---|---|---|---|
| SCHEMBL27454029 | 0.81 | HSD17B1 (0.37) | CYP19A1HSD17B1PARP10 | |
| SCHEMBL28118103 | 0.72 | HSD17B1 (0.36) | CYP19A1HSD17B1MPL | |
| SCHEMBL28167174 | 0.69 | HTR1A (0.33) | PARP1KCNH2DYRK3TNKSPGR | |
| SCHEMBL13184538 | 0.67 | KDM4E (0.59) | NOS1NCF1HRH3CHEK1ADRB2 | |
| SCHEMBL27346636 | 0.67 | CES1 (0.47) | CYP19A1DYRK1ASMN1; SMN2NPSR1 | |
| SCHEMBL19249393 | 0.66 | ALDH1A1 (0.46) | NCF1PRMT6SMN1; SMN2 | |
| SCHEMBL28845525 | 0.66 | HAO1 (0.35) | NCF1PARP1KCNH2HRH3ADRB1 | |
| Fluoride SCHEMBL28154422 | 0.65 | DRD2 (0.33) | KCNH2HRH3ADRB1SLC6A2ADRA1A | |
| SCHEMBL17350026 | 0.65 | ALDH1A1 (0.45) | NCF1PRMT6SMN1; SMN2 | |
| SCHEMBL1254155 | 0.65 | ALDH1A1 (0.49) | NCF1PRMT6SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104876937-B | Maleate, its medical composition and its use of 8 fluorine 2 { 4 [(methylamino) methyl] phenyl } 1,3,4,5 tetrahydrochysene 6H azepines * simultaneously ketone of [5,4,3 cd] indoles 6 | 辉瑞公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106794185-A | High dose strength tablets of Rucaparib | 克洛维斯肿瘤有限公司 | 2017-05-31 | — | — | CN | disclosed |