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 | 1/20 | 0.71 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.71 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.71 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.71 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.71 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.71 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.71 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.71 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.71 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.71 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 18/20 | 0.88 |
| ▸ | ESR2 | Q92731 | 18/20 | 0.88 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.76 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.76 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL1680060 | 0.99 | ESR1 (0.90) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL11209650 | 0.95 | ESR1 (0.82) | ESR1ESR2ENPP3MEN1ALDH1A1 | |
| Bromide SCHEMBL1665326 | 0.95 | ESR1 (0.98) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL11188522 | 0.94 | ESR1 (0.90) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL1665661 | 0.94 | ESR1 (1.00) | ESR1ESR2ENPP3ENPP1MEN1 | |
| Hydrochloric Acid SCHEMBL2495864 | 0.93 | ESR1 (1.00) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL7632970 | 0.93 | ESR1 (0.98) | ESR1ESR2ENPP3ENPP1MEN1 | |
| Hydrochloric Acid SCHEMBL1665332 | 0.93 | ESR1 (1.00) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL6663935 | 0.93 | ESR1 (0.98) | ESR1ESR2ENPP3ENPP1MEN1 | |
| SCHEMBL6595860 | 0.92 | ESR1 (0.96) | ESR1ESR2ENPP3ENPP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011047878-A2 | A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES | HEXAL AKTIENGESELLSCHAFT (DE) | 2011-04-28 | — | — | WO | disclosed |