Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2C
The experimentally established mechanism targets of Phentolamine. 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 | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 7/20 | 0.98 |
| ▸ | ADRA1D known ✓ | P25100 | 5/20 | 0.98 |
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 0.98 |
| ▸ | ADRA1B known ✓ | P35368 | 4/20 | 0.98 |
| ▸ | ADRA2C known ✓ | P18825 | 4/20 | 0.98 |
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.98 |
| ▸ | LMNA | P02545 | 2/20 | 0.98 |
| ▸ | HTR1A | P08908 | 2/20 | 0.98 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.98 |
| ▸ | HRH1 | P35367 | 2/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.98 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
| ▸ | HTR2C | P28335 | 1/20 | 0.98 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.98 |
| ▸ | SCN1A | P35498 | 1/20 | 0.98 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.98 |
| ▸ | HTR2B | P41595 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Phentolamine SCHEMBL29395338 | 0.99 | ADRA1A (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL9751780 | 0.99 | ADRA1A (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL5653 | 0.99 | ADRA1A (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL293522 | 0.98 | ADRA1A (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL6431869 | 0.98 | ADRA1A (0.98) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL4343423 | 0.94 | ADRA1A (0.93) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL28535560 | 0.93 | ADRA1A (0.89) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL3938445 | 0.92 | CYP2D6 (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL40852 | 0.92 | CYP2D6 (1.00) | ADRA1AADRA1DADRA2AADRA1BADRA2C | |
| Phentolamine SCHEMBL3764128 | 0.91 | CYP2D6 (0.98) | ADRA1AADRA1DADRA2AADRA1BADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1672679-A | Application of externally applied phentolamine methane sulphonate prepn in treating female sexual apathy | SUN MINGJIE (CN) | 2005-09-28 | — | — | CN | disclosed |
| WO-1996010408-A1 | CARDIOACTIVE COMPOUNDS ISOLATED FROM WOODY PERENNIALS | THE EXECUTIVE DIRECTOR OF THE WESTERN AUSTRALIAN DEPARTMENT OF CONSERVATION AND LAND MANAGEMENT (AU) | 1996-04-11 | — | — | WO | disclosed |