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 | 0.60 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.60 |
| ▸ | PLAU | P00749 | 10/20 | 0.60 |
| ▸ | SCNN1A | P37088 | 7/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.60 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4693426 | 0.99 | PLAU (0.61) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL4693836 | 0.97 | KDM4E (0.62) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| SCHEMBL4885291 | 0.94 | PLAU (0.56) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| SCHEMBL1930596 | 0.94 | PLAU (0.56) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| SCHEMBL3528728 | 0.93 | PLAU (0.58) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| SCHEMBL13165429 | 0.93 | PLAU (0.58) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| SCHEMBL14088259 | 0.92 | SCNN1A (0.58) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL4880758 | 0.92 | KDM4E (0.57) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL4881568 | 0.92 | KDM4E (0.57) | PLAUSCNN1AKDM4EALDH1A1GLA | |
| Hydrochloric Acid SCHEMBL4877709 | 0.92 | KDM4E (0.57) | PLAUSCNN1AKDM4EALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| 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-6613345-B2 | Compounds of the general formula P1-L-P2; wherein \"P1\" is a pyrazinoylguanidine sodium channel blocker, \"L\" is a linking group, and \"P2\" is either (i) a pyrazinoylguanidine sodium channel blocker or (ii) a P2Y2 receptor agonist, are disclosed | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2003-09-02 | — | — | US | 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 |
| US-20020158255-A1 | Conjugates of sodium channel blockers and methods of using the same | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-10-31 | — | — | US | disclosed |