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 | 8/20 | 1.00 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.97 |
| ▸ | LMNA | P02545 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 1.00 |
| ▸ | PMP22 | Q01453 | 4/20 | 1.00 |
| ▸ | MEN1 | O00255 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 4/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | ATM | Q13315 | 1/20 | 1.00 |
| ▸ | HRH1 | P35367 | 8/20 | 0.97 |
| ▸ | HTR2B | P41595 | 8/20 | 0.97 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.97 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.97 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.97 |
| ▸ | DRD2 | P14416 | 6/20 | 0.97 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.97 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.97 |
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 SCHEMBL29356807 | 1.00 | SLC6A2 (1.00) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL41079 | 1.00 | SLC6A2 (1.00) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL14918734 | 0.98 | SLC6A2 (0.97) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL2877708 | 0.98 | SLC6A2 (1.00) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL7824 | 0.98 | SLC6A2 (1.00) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL29359365 | 0.98 | SLC6A2 (1.00) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL28299765 | 0.97 | SLC6A2 (0.97) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL7215255 | 0.97 | SLC6A2 (0.97) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL3055149 | 0.95 | SLC6A2 (0.94) | SLC6A2LMNAALDH1A1PMP22MEN1 | |
| Amitriptyline SCHEMBL8070446 | 0.90 | SLC6A2 (0.83) | SLC6A2LMNAALDH1A1PMP22MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9012486-B2 | Topical composition for pain relief | CHERVINSKY ALEX (US) | 2015-04-21 | — | — | US | disclosed |
| US-20130123320-A1 | TOPICAL COMPOSITION FOR PAIN RELIEF | CHERVINSKY ALEX (US) | 2013-05-16 | — | — | US | disclosed |