Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Desipramine. 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 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.47 |
| ▸ | THPO | P40225 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Demoxepam SCHEMBL29611580 | 0.79 | CNR1 (0.54) | CYP1A2OPRK1CHRM1HTTMEN1 | |
| Demoxepam SCHEMBL78342 | 0.79 | CNR1 (0.54) | CYP1A2OPRK1CHRM1HTTMEN1 | |
| Cyprazepam SCHEMBL8318567 | 0.76 | CYP1A2 (0.46) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| SCHEMBL29460460 | 0.73 | SLC6A2 (0.76) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| SCHEMBL11384662 | 0.73 | SLC6A2 (0.76) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| SCHEMBL29485933 | 0.73 | SLC6A2 (0.76) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| Hydrochloric Acid SCHEMBL11385631 | 0.72 | SLC6A2 (0.77) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| SCHEMBL22748114 | 0.70 | SLC6A2 (0.70) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| SCHEMBL29486019 | 0.70 | SLC6A2 (0.70) | CYP3A4DRD2DRD3SLC6A2CYP1A2 | |
| Desipramine SCHEMBL5072939 | 0.69 | SLC6A4 (1.00) | CYP3A4DRD2DRD3SLC6A2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001084154-A1 | METHOD AND COMPOSITIONS FOR DRUG DISCOVERY | PIDGEON CHARLES (US) | 2001-11-08 | — | — | WO | disclosed |