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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.45 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL11272923 | 0.91 | HCAR2 (0.47) | L3MBTL1HCAR2ERCC1ERCC4CYP1A2 | |
| SCHEMBL11276210 | 0.86 | L3MBTL1 (0.53) | L3MBTL1POLBGFERKMT2AERCC1 | |
| SCHEMBL29709890 | 0.85 | L3MBTL1 (0.60) | L3MBTL1CYP1A2F2KCNH2GRIN2B | |
| SCHEMBL6542369 | 0.85 | L3MBTL1 (0.60) | L3MBTL1CYP1A2F2KCNH2GRIN2B | |
| Hydrochloric Acid SCHEMBL11275933 | 0.84 | L3MBTL1 (0.56) | L3MBTL1POLBGFERKMT2AERCC1 | |
| SCHEMBL5305854 | 0.81 | L3MBTL1 (0.70) | L3MBTL1F2KCNH2GRIN2BESR1 | |
| SCHEMBL20801186 | 0.80 | L3MBTL1 (0.63) | L3MBTL1ERCC1ERCC4CYP1A2DRD2 | |
| Bromide SCHEMBL11280236 | 0.80 | BCHE (0.59) | KMT2ADRD2DRD4DRD3ALDH1A1 | |
| Acetic Acid SCHEMBL11272956 | 0.79 | ERCC1 (0.52) | L3MBTL1POLBGFERKMT2AERCC1 | |
| SCHEMBL7410353 | 0.77 | ERCC1 (0.68) | L3MBTL1POLBGFERKMT2AERCC1 |
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 |