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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
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 SCHEMBL11269859 | 0.89 | SIGMAR1 (0.42) | HCAR2KDM4EHSD17B10OPRK1LMNA | |
| Hydrochloric Acid SCHEMBL11271659 | 0.87 | AKR1C3 (0.42) | AKR1C3AKR1C2GRIN2DGRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL11274233 | 0.78 | AKR1C3 (0.41) | AKR1C3AKR1C2GRIN2DGRIN2AGRIN2B | |
| Bromide SCHEMBL11275662 | 0.78 | ADRB2 (0.49) | HCAR2AKR1C3AKR1C2CES2KDM4E | |
| Acetic Acid SCHEMBL11283942 | 0.77 | MAPT (0.47) | KDM4EHSD17B10OPRK1LMNAMAPK1 | |
| Propionic Acid SCHEMBL11267342 | 0.77 | TMEM97 (0.51) | HCAR2KDM4EHSD17B10LMNAMAPK1 | |
| Acetic Acid SCHEMBL11275546 | 0.76 | BCHE (0.53) | HCAR2KDM4EOPRK1OPRM1MAPT | |
| Bromide SCHEMBL11563020 | 0.76 | SIGMAR1 (0.45) | HCAR2KDM4EHSD17B10OPRK1LMNA | |
| Hydrochloric Acid SCHEMBL11282789 | 0.76 | KCNH2 (0.44) | AKR1C3AKR1C2GRIN2DGRIN2AGRIN2B | |
| Bromide SCHEMBL11285071 | 0.76 | SIGMAR1 (0.48) | HCAR2CES2KDM4EHSD17B10OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |