Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 6/20 | 0.76 |
| ▸ | HRH1 | P35367 | 6/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.76 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.76 |
| ▸ | DRD2 | P14416 | 4/20 | 0.76 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.76 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.76 |
| ▸ | DRD3 | P35462 | 4/20 | 0.76 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.76 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.76 |
| ▸ | HTR1A | P08908 | 3/20 | 0.76 |
| ▸ | DRD1 | P21728 | 3/20 | 0.76 |
| ▸ | DRD5 | P21918 | 3/20 | 0.76 |
| ▸ | HTR6 | P50406 | 3/20 | 0.76 |
| ▸ | MC3R | P41968 | 3/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL22073557 | 1.00 | HTR2B (0.76) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| SCHEMBL22077149 | 0.92 | HRH1 (0.76) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| Amitriptyline SCHEMBL7824 | 0.87 | SLC6A2 (1.00) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| Amitriptyline SCHEMBL2877708 | 0.87 | SLC6A2 (1.00) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| Amitriptyline SCHEMBL29359365 | 0.87 | SLC6A2 (1.00) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| SCHEMBL9942665 | 0.87 | HTR2B (0.76) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| SCHEMBL9942664 | 0.87 | HTR2B (0.76) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| SCHEMBL17727614 | 0.87 | HTR2B (0.76) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| Amitriptyline SCHEMBL7215255 | 0.86 | SLC6A2 (0.97) | HTR2BHRH1SLC6A2CYP2D6KCNH2 | |
| Amitriptyline SCHEMBL14937172 | 0.86 | SLC6A2 (1.00) | HTR2BHRH1SLC6A2CYP2D6KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063999-A1 | MONO HALOGEN OR METHYL-SUBSTITUTED 5-HT2B ANTAGONISTS WITH INCREASED ACTIVITY | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2020-04-02 | — | — | WO | disclosed |