Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Amitriptyline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.69 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.69 |
| ▸ | HRH1 | P35367 | 6/20 | 0.69 |
| ▸ | HTR2B | P41595 | 4/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.69 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.69 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.69 |
| ▸ | DRD2 | P14416 | 3/20 | 0.69 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.69 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.69 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.69 |
| ▸ | HTR2A | P28223 | 3/20 | 0.69 |
| ▸ | HTR2C | P28335 | 3/20 | 0.69 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.69 |
| ▸ | DRD3 | P35462 | 3/20 | 0.69 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.69 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Amitriptyline SCHEMBL28355287 | 0.86 | HRH1 (0.83) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL30988837 | 0.84 | HRH1 (0.78) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| SCHEMBL7609163 | 0.84 | SLC6A2 (0.65) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL2877708 | 0.83 | SLC6A2 (1.00) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL29359365 | 0.83 | SLC6A2 (1.00) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL7824 | 0.83 | SLC6A2 (1.00) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL14937172 | 0.82 | SLC6A2 (1.00) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL29356807 | 0.82 | SLC6A2 (1.00) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL7215255 | 0.82 | SLC6A2 (0.97) | HRH1SLC6A2HTR2BKCNH2CHRM2 | |
| Amitriptyline SCHEMBL28299765 | 0.82 | SLC6A2 (0.97) | HRH1SLC6A2HTR2BKCNH2CHRM2 |
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-108017718-A | Hypromellose acetate succinate and preparation method thereof | 信越化学工业株式会社 | 2018-05-11 | — | — | CN | disclosed |