Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diphenhydramine. 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 | 1/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Diphenhydramine SCHEMBL49392 | 1.00 | ADORA2B (0.62) | ADORA2BMAPK1ALDH1A1CYP1A2LMNA | |
| Diphenhydramine SCHEMBL6682222 | 1.00 | ADORA2B (0.62) | ADORA2BMAPK1ALDH1A1CYP1A2LMNA | |
| Diphenhydramine SCHEMBL4317477 | 1.00 | ADORA2B (0.62) | ADORA2BMAPK1ALDH1A1CYP1A2LMNA | |
| Benztropine SCHEMBL28142853 | 0.89 | ADORA2B (0.49) | ADORA2BMAPK1ALDH1A1CYP1A2LMNA | |
| Rizatriptan SCHEMBL17595763 | 0.80 | HTR1D (0.53) | ADORA2BMAPK1ALDH1A1CYP1A2LMNA | |
| Acefylline SCHEMBL308514 | 0.79 | ADORA2B (1.00) | ADORA2BMAPK1ALDH1A1LMNARXFP1 | |
| Acefylline SCHEMBL18191994 | 0.79 | ADORA2B (1.00) | ADORA2BMAPK1ALDH1A1LMNARXFP1 | |
| Acefylline SCHEMBL8402147 | 0.78 | ADORA2B (0.97) | ADORA2BMAPK1ALDH1A1LMNARXFP1 | |
| SCHEMBL10178001 | 0.76 | ADORA2B (0.70) | ADORA2BCYP1A2LMNAMAPTSMN1; SMN2 | |
| SCHEMBL10178196 | 0.75 | ADORA2B (0.68) | ADORA2BSMN1; SMN2 |
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-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |