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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.32 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.32 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581187 | 0.99 | ADRA2A (0.33) | ADRA2AADRA2CADRA2BADRA1DADRA1A | |
| Bromide SCHEMBL8927837 | 0.82 | ALDH1A1 (0.37) | ALDH1A1PKM | |
| SCHEMBL8153481 | 0.77 | ADRA2A (0.55) | ADRA2AADRA2CADRA2BADRA1DADRA1A | |
| SCHEMBL27269511 | 0.76 | PDPK1 (0.40) | ADRA2AADRA2CADRA2BADRA1DADRA1A | |
| SCHEMBL6581894 | 0.75 | ADRB2 (0.35) | ADRA2AADRA2CADRA2BADRA1DADRA1A | |
| SCHEMBL6585042 | 0.74 | MEN1 (0.40) | LMNAMEN1POLBKMT2A | |
| SCHEMBL7742096 | 0.74 | CCR1 (0.42) | ALDH1A1LMNAPOLBKMT2A | |
| Hydrochloric Acid SCHEMBL8690217 | 0.73 | CCR1 (0.41) | ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL6950540 | 0.72 | — | — | |
| SCHEMBL6584951 | 0.72 | MEN1 (0.39) | ALDH1A1MEN1KMT2A |
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 |