Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Doxepin. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 0.81 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.81 |
| ▸ | HTR2B | P41595 | 5/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | LMNA | P02545 | 2/20 | 0.81 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.81 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.81 |
| ▸ | HTR1A | P08908 | 1/20 | 0.81 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.81 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.81 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.81 |
| ▸ | DRD2 | P14416 | 1/20 | 0.81 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.81 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.81 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.81 |
| ▸ | DRD1 | P21728 | 1/20 | 0.81 |
| ▸ | DRD4 | P21917 | 1/20 | 0.81 |
| ▸ | DRD5 | P21918 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Doxepin SCHEMBL10340680 | 1.00 | HTR2B (0.81) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL28075931 | 0.90 | HTR2B (0.95) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| E-Doxepin SCHEMBL116895 | 0.90 | HTR2B (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL31349647 | 0.90 | HTR2B (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Cidoxepin SCHEMBL29493441 | 0.90 | HTR2B (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Cidoxepin SCHEMBL684837 | 0.90 | HTR2B (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL28054 | 0.90 | HTR2B (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL28218209 | 0.89 | ALDH1A1 (0.95) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL41532 | 0.89 | ALDH1A1 (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA | |
| Doxepin SCHEMBL1281891 | 0.89 | ALDH1A1 (1.00) | HTR2BHRH1KCNH2ALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112724117-A | Refining method of doxepin hydrochloride | 南京济群医药科技股份有限公司 | 2021-04-30 | — | — | CN | claimed |
| CN-112724117-A | Refining method of doxepin hydrochloride | 南京济群医药科技股份有限公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-112724117-A | Refining method of doxepin hydrochloride | 南京济群医药科技股份有限公司 | 2021-04-30 | — | — | CN | disclosed |
| EP-0351897-A2 | Skin penetration system for salts of amine-functional drugs | THE PROCTER & GAMBLE COMPANY (US) | 1990-01-24 | — | — | EP | disclosed |