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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 11/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4066495 | 0.98 | TLR8 (0.48) | TLR8KCNH2MIFALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL16990774 | 0.97 | TLR8 (0.50) | TLR8KCNH2MIFALDH1A1POLB | |
| SCHEMBL5330185 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5291621 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5817976 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5327018 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5812202 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5331832 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5327329 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 | |
| SCHEMBL5816660 | 0.84 | TLR8 (0.62) | TLR8KCNH2KMT2ACYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0765331-A1 | OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES | ZENECA LIMITED (GB) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995033754-A1 | OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES | ZENECA LIMITED (GB) | 1995-12-14 | — | — | WO | disclosed |