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 | 3/20 | 0.59 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.59 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.59 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.59 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.53 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.53 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.53 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | BACE1 | P56817 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 3/20 | 0.57 |
| ▸ | DRD1 | P21728 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11272983 | 0.98 | TAAR1 (0.61) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| Bromide SCHEMBL11273969 | 0.94 | TAAR1 (0.57) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL11283434 | 0.92 | TAAR1 (0.59) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| Acetic Acid SCHEMBL11278065 | 0.90 | TAAR1 (0.48) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6563371 | 0.83 | KDM4E (0.58) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL29989580 | 0.82 | TAAR1 (0.67) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL11559652 | 0.82 | TAAR1 (0.67) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL2454279 | 0.81 | ABAT (0.58) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL28416019 | 0.81 | ABAT (0.58) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 | |
| SCHEMBL29120351 | 0.81 | TAAR1 (0.52) | TAAR1KDM4EADRA2ASLC6A2ALDH1A1 |
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 |