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 | 0.42 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.39 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 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 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.39 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.38 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 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 SCHEMBL11275657 | 0.89 | HCAR2 (0.43) | SIGMAR1HCAR2LMNAKDM4EMAPK1 | |
| Bromide SCHEMBL11563020 | 0.86 | SIGMAR1 (0.45) | SIGMAR1HCAR2LMNAKDM4EHIF1A | |
| SCHEMBL11566078 | 0.85 | MAPT (0.47) | SIGMAR1LMNAKDM4EMAPK1CYP1A2 | |
| SCHEMBL11277501 | 0.84 | SIGMAR1 (0.46) | SIGMAR1HCAR2LMNAKDM4EHIF1A | |
| Hydrochloric Acid SCHEMBL11278458 | 0.83 | KDM4E (0.49) | SIGMAR1LMNAKDM4EMAPK1CYP1A2 | |
| Bromide SCHEMBL11276785 | 0.83 | TMEM97 (0.63) | SIGMAR1TMEM97HCAR2LMNAKDM4E | |
| SCHEMBL2046459 | 0.82 | CNR1 (0.53) | HCAR2LMNAKDM4ECYP1A2TSHR | |
| SCHEMBL21447597 | 0.81 | CYP1A2 (0.57) | SIGMAR1CYP1A2HTR2ACA12CA1 | |
| SCHEMBL19831675 | 0.81 | MC5R (0.42) | LMNAMAPK1CYP1A2TSHRHIF1A | |
| SCHEMBL3120845 | 0.80 | TMEM97 (0.63) | SIGMAR1TMEM97LMNAKDM4EHIF1A |
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 |