Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.47 |
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.47 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 9/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 SCHEMBL9239994 | 0.98 | SIGMAR1 (0.56) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL9549787 | 0.95 | SIGMAR1 (0.61) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Hydrochloric Acid SCHEMBL9549734 | 0.91 | SIGMAR1 (0.61) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Phosphoric Acid SCHEMBL9549735 | 0.85 | SIGMAR1 (0.54) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| SCHEMBL8536686 | 0.85 | SIGMAR1 (0.56) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Acetic Acid SCHEMBL9549728 | 0.82 | SIGMAR1 (0.51) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Acetic Acid SCHEMBL9848338 | 0.81 | SIGMAR1 (0.50) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL190865 | 0.81 | HTR2A (0.60) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| Bromide SCHEMBL246032 | 0.79 | HTR2A (0.58) | SIGMAR1HIF1AKCNH2CHRM1SLC6A2 | |
| SCHEMBL11582881 | 0.79 | SIGMAR1 (0.89) | SIGMAR1KCNH2CHRM1SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0409406-A2 | Aryl-substituted amine derivatives useful in cancer therapy | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |
| WO-1990015599-A1 | MEDICAMENTS USEFUL IN CANCER THERAPY AND HAVING ANTIHISTAMINIC PROPERTIES | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-12-27 | — | — | WO | disclosed |
| EP-0270692-A1 | ANTIARRHYTHMIC AGENT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1988-06-15 | — | — | EP | disclosed |