Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dimetacrine. 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 | 7/20 | 0.71 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.71 |
| ▸ | DRD2 | P14416 | 6/20 | 0.71 |
| ▸ | HTR6 | P50406 | 6/20 | 0.71 |
| ▸ | HTR1A | P08908 | 6/20 | 0.71 |
| ▸ | HTR2A | P28223 | 5/20 | 0.71 |
| ▸ | LMNA | P02545 | 5/20 | 0.71 |
| ▸ | MAPT | P10636 | 5/20 | 0.71 |
| ▸ | HTR7 | P34969 | 4/20 | 0.71 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.71 |
| ▸ | DRD1 | P21728 | 4/20 | 0.71 |
| ▸ | DRD3 | P35462 | 4/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.71 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Dibenzepin SCHEMBL49286 | 0.84 | HRH1 (1.00) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dibenzepin SCHEMBL29354805 | 0.84 | HRH1 (1.00) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dibenzepin SCHEMBL668219 | 0.83 | HRH1 (0.97) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dibenzepin SCHEMBL29375228 | 0.83 | HRH1 (0.97) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dibenzepin SCHEMBL14973430 | 0.82 | HRH1 (0.94) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dimetacrine SCHEMBL50120 | 0.82 | CYP2D6 (1.00) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dimetacrine SCHEMBL29578094 | 0.82 | CYP2D6 (1.00) | HRH1SLC6A4DRD2HTR6HTR1A | |
| SCHEMBL11640552 | 0.77 | CYP2D6 (0.78) | HRH1SLC6A4DRD2HTR6HTR1A | |
| SCHEMBL11639312 | 0.74 | KMT2A (0.57) | HRH1SLC6A4DRD2HTR6HTR1A | |
| Dibenzepin SCHEMBL21489527 | 0.74 | SLC6A4 (0.65) | HRH1SLC6A4DRD2HTR6HTR1A |
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-108025008-A | Compositions and methods for treating substance use disorders, addiction and psychosis | 安比拉神经疗法公司 | 2018-05-11 | — | — | CN | disclosed |