Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2C
The experimentally established mechanism targets of Phenoxybenzamine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.65 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.65 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.65 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | DRD2 | P14416 | 1/20 | 0.65 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | HTR2A | P28223 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Phenoxybenzamine SCHEMBL1133740 | 0.81 | SMN1; SMN2 (0.94) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Phenoxybenzamine SCHEMBL5722 | 0.81 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Phenoxybenzamine SCHEMBL202823 | 0.81 | SMN1; SMN2 (1.00) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Phenoxybenzamine SCHEMBL50729 | 0.80 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Phenoxybenzamine SCHEMBL14894820 | 0.73 | SMN1; SMN2 (0.81) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Phenoxybenzamine SCHEMBL11992656 | 0.72 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| Clonidine SCHEMBL17767805 | 0.71 | MAOA (0.51) | SLC6A2SLC6A3CYP2D6LMNASIGMAR1 | |
| SCHEMBL15960915 | 0.70 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| SCHEMBL11077715 | 0.69 | SMN1; SMN2 (0.74) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 | |
| SCHEMBL19958436 | 0.69 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2TSHRSLC22A2SLC22A1 |
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-2001045638-A2 | COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CONDITIONS, DISORDERS, OR DISEASES INVOLVING CELL DEATH | COGENT NEUROSCIENCE, INC. (US) | 2001-06-28 | — | — | WO | disclosed |