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 | 9/20 | 0.87 |
| ▸ | ADRA1D known ✓ | P25100 | 7/20 | 0.87 |
| ▸ | ADRA1B known ✓ | P35368 | 6/20 | 0.87 |
| ▸ | ADRA2A known ✓ | P08913 | 6/20 | 0.85 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 0.85 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.85 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | TSHR | P16473 | 1/20 | 0.98 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.98 |
| ▸ | BLM | P54132 | 1/20 | 0.98 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.98 |
| ▸ | MAPT | P10636 | 1/20 | 0.87 |
| ▸ | LMNA | P02545 | 1/20 | 0.85 |
| ▸ | HTR1A | P08908 | 1/20 | 0.85 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.85 |
| ▸ | HTR2A | P28223 | 1/20 | 0.85 |
| ▸ | HTR2C | P28335 | 1/20 | 0.85 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.85 |
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 SCHEMBL3938445 | 0.99 | CYP2D6 (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL40852 | 0.99 | CYP2D6 (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL293522 | 0.93 | ADRA1A (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL9751780 | 0.92 | ADRA1A (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL29395338 | 0.92 | ADRA1A (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL5653 | 0.92 | ADRA1A (1.00) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL6431869 | 0.91 | ADRA1A (0.98) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL9057149 | 0.91 | ADRA1A (0.98) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL4343423 | 0.90 | ADRA1A (0.93) | CYP2D6KDM4ECYP3A4TSHRNFKB1 | |
| Phentolamine SCHEMBL28535560 | 0.89 | ADRA1A (0.89) | CYP2D6KDM4ECYP3A4TSHRNFKB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100311785-A1 | Combination Therapy For Modulating The Human Sexual Response | REPROS THERAPEUTICS INC. (US) | 2010-12-09 | — | — | US | disclosed |
| EP-0996447-B1 | COMBINATION THERAPY FOR MODULATING THE HUMAN SEXUAL RESPONSE | ZONAGEN INC (US) | 2006-07-19 | — | — | EP | disclosed |
| US-20030207891-A1 | Combination therapy for modulating the human sexual response | ZONAGEN, INC. | 2003-11-06 | — | — | US | disclosed |
| US-20030004170-A1 | Combination therapy for modulating the human sexual response | ZONAGEN, INC. | 2003-01-02 | — | — | US | disclosed |