Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | TNKS | O95271 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | POLA1 | P09884 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27741163 | 0.88 | — | — | |
| Fluoride SCHEMBL28154422 | 0.85 | DRD2 (0.33) | HTR1AHTR7SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28776118 | 0.75 | HTR1A (0.30) | HTR1AHTR7 | |
| SCHEMBL27571257 | 0.69 | HTR1A (0.33) | HTR1AHTR7 | |
| SCHEMBL28153404 | 0.69 | NOS1 (0.39) | SLC6A2DYRK3TNKSPGRCDK1 | |
| SCHEMBL27578937 | 0.68 | — | — | |
| SCHEMBL28210257 | 0.68 | DAPK3 (0.41) | HTR1AHTR7NOS3ADRA1ADYRK1A | |
| SCHEMBL6156737 | 0.67 | HTR1D (0.51) | HTR1DHTR1BKCNH2 | |
| SCHEMBL28154367 | 0.66 | DRD2 (0.32) | HTR1AHTR7SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5684932 | 0.65 | CYP2C9 (0.35) | HTR1AHTR7HTR1DHTR1B |
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-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 |