Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | 20/20 | 0.49 |
| ▸ | ADRA2B known ✓ | P18089 | 20/20 | 0.49 |
| ▸ | ADRA2C known ✓ | P18825 | 20/20 | 0.49 |
| ▸ | ADRA1D known ✓ | P25100 | 12/20 | 0.49 |
| ▸ | ADRA1B known ✓ | P35368 | 11/20 | 0.49 |
| ▸ | ADRA1A known ✓ | P35348 | 10/20 | 0.49 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581438 | 0.99 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL7031313 | 0.89 | ADRA2A (0.48) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL7030824 | 0.87 | ADRA2A (0.49) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| Povafonidine SCHEMBL8927783 | 0.84 | ADRA2A (0.66) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| Povafonidine SCHEMBL6581181 | 0.82 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL2215760 | 0.80 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL7030760 | 0.80 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL7036378 | 0.80 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL29938904 | 0.80 | ADRA2A (0.67) | ADRA2AADRA2BADRA2CADRA1DADRA1B | |
| SCHEMBL7030580 | 0.79 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CADRA1DADRA1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691370-A | 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists | THE PROCTER & GAMBLE COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0736022-A1 | 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| US-5541210-A | ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE | THE PROCTER & GAMBLE COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| US-5478858-A | Respiratory system disorders, gastrointestinal disorders | THE PROCTER & GAMBLE COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| WO-1995016685-A1 | 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS | THE PROCTER & GAMBLE COMPANY (US) | 1995-06-22 | — | — | WO | disclosed |