Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Doxylamine. 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 | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Doxylamine SCHEMBL2529254 | 0.95 | CYP2D6 (0.72) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL29538969 | 0.94 | CYP2D6 (0.71) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL12959067 | 0.82 | CHRM2 (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL30702275 | 0.82 | CHRM2 (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL30116312 | 0.82 | CHRM2 (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL4709 | 0.82 | CHRM2 (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL17047020 | 0.81 | CHRM2 (0.97) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL17540680 | 0.77 | BLM (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL1172924 | 0.77 | BLM (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 | |
| Doxylamine SCHEMBL160443 | 0.77 | BLM (1.00) | CHRM2CYP2D6BLMKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110240504-A1 | METHOD AND APPARATUS FOR PACKAGING AND DISPENSING PHARMACEUTICALS | APOTEX TECHNOLOGIES INC. (CA) | 2011-10-06 | — | — | US | disclosed |