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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.56 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.46 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 9/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 SCHEMBL9851216 | 0.98 | SIGMAR1 (0.58) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL9549787 | 0.93 | SIGMAR1 (0.61) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Hydrochloric Acid SCHEMBL9549734 | 0.89 | SIGMAR1 (0.61) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Phosphoric Acid SCHEMBL9549735 | 0.83 | SIGMAR1 (0.54) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| SCHEMBL8536686 | 0.83 | SIGMAR1 (0.56) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL246032 | 0.81 | HTR2A (0.58) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Acetic Acid SCHEMBL9549728 | 0.81 | SIGMAR1 (0.51) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL28158895 | 0.80 | HTR2A (0.56) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Acetic Acid SCHEMBL9848338 | 0.80 | SIGMAR1 (0.50) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL190865 | 0.79 | HTR2A (0.60) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5395610-A | Agents for potentiating the effects of antitumor agents and combating multiple drug resistance | BURROUGHS-WELLCOME CO. (US) | 1995-03-07 | — | — | US | disclosed |
| US-5300282-A | Agents for potentiating the effects of antitumor agents and combating multiple drug resistance | BURROUGHS-WELLCOME COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0409406-B1 | ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-09-08 | — | — | EP | disclosed |
| EP-0487502-A2 | Pharmaceutically active aryl-substituted amine derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-27 | — | — | EP | disclosed |
| US-4533722-A | COPPER CONTAINING COCATALYST | GENERAL ELECTRIC COMPANY (US) | 1985-08-06 | — | — | US | disclosed |
| US-4471105-A | HIGH MOLECULAR WEIGHT POLYMERS FROM STERICALLY HINDERED BISPHENOLS; REUSE AND CIRCULATION OF CATALYST | GENERAL ELECTRIC COMPANY (US) | 1984-09-11 | — | — | US | disclosed |
| US-4384108-A | Two-phase interfacial polycarbonate process | GENERAL ELECTRIC COMPANY (US) | 1983-05-17 | — | — | US | disclosed |