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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.39 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30019258 | 0.98 | KCNH2 (0.48) | KCNH2NOS3NOS1NOS2KDM4E | |
| Tetradecane SCHEMBL27660314 | 0.98 | KCNH2 (0.48) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL2555626 | 0.98 | KCNH2 (0.48) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL27630660 | 0.98 | KCNH2 (0.48) | KCNH2NOS3NOS1NOS2KDM4E | |
| Hydrochloric Acid SCHEMBL28148327 | 0.96 | KCNH2 (0.47) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL31280277 | 0.96 | NOS3 (0.50) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL2550616 | 0.96 | NOS3 (0.50) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL2552826 | 0.91 | NOS2 (0.52) | KCNH2NOS3NOS1NOS2KDM4E | |
| SCHEMBL29058198 | 0.89 | KCNH2 (0.50) | KCNH2KDM4ELMNACYP3A4LNPEP | |
| SCHEMBL27345656 | 0.89 | KCNH2 (0.50) | KCNH2KDM4ELMNACYP3A4LNPEP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0616520-A1 | PHYTATE-ANTIMICROBIAL COMPOSITIONS IN ORAL CARE PRODUCTS. | DOW CHEMICAL CO (US) | 1994-09-28 | — | — | EP | disclosed |