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 | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.57 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.57 |
| ▸ | PLAU | P00749 | 13/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | SCNN1A | P37088 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | SLC9A5 | Q14940 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.57 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7527748 | 0.97 | PLAU (0.57) | PLAUKDM4EALDH1A1GLAHPGD | |
| Hydrochloric Acid SCHEMBL4751467 | 0.96 | KDM4E (0.58) | PLAUKDM4EALDH1A1GLAHPGD | |
| SCHEMBL4882208 | 0.93 | PLAU (0.52) | PLAUKDM4EALDH1A1GLAHPGD | |
| Bromide SCHEMBL4693426 | 0.88 | PLAU (0.61) | PLAUKDM4EALDH1A1GLAHPGD | |
| Hydrochloric Acid SCHEMBL4885454 | 0.87 | KDM4E (0.53) | PLAUKDM4EALDH1A1GLAHPGD | |
| Bromide SCHEMBL4789645 | 0.87 | PLAU (0.60) | PLAUKDM4EALDH1A1GLAHPGD | |
| SCHEMBL16093148 | 0.84 | PLAU (0.60) | PLAUKDM4EALDH1A1GLAHPGD | |
| Hydrochloric Acid SCHEMBL4693836 | 0.84 | KDM4E (0.62) | PLAUKDM4EALDH1A1GLAHPGD | |
| SCHEMBL13165429 | 0.83 | PLAU (0.58) | PLAUKDM4EALDH1A1GLAHPGD | |
| SCHEMBL3530142 | 0.83 | PLAU (0.58) | PLAUKDM4EALDH1A1GLAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1196396-B1 | PHARMACOLOGICALLY ACTIVE COMPOUNDS WITH TWO COVALENTLY LINKED ACTIVE PRINCIPLES (SODIUM CHANNNEL BLOCKER/P2Y2 RECEPTOR AGONIST) FOR THE TREATMENT OF MUCOSAL SURFACES | UNIV NORTH CAROLINA (US) | 2008-03-26 | — | — | EP | disclosed |
| US-6475509-B1 | Covalent conjugates of sodium channel blockers and active compounds | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2002-11-05 | — | — | US | disclosed |