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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ATP4A | P20648 | 16/20 | 0.46 |
| ▸ | ATP4B | P51164 | 16/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
| ▸ | HRH2 | P25021 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8708729 | 0.98 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5879530 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10776417 | 0.80 | SLC22A2 (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL18197976 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL18346920 | 0.79 | HRH2 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8934520 | 0.79 | SLC22A2 (0.49) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL18197974 | 0.77 | CYP2D6 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL22296554 | 0.76 | HRH2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL12592706 | 0.75 | CYP2D6 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL16386211 | 0.75 | CYP2D6 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 |
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-1998040367-A1 | NOVEL THIAZOLE DERIVATIVES AND THEIR PREPARATION | ALBEMARLE CORPORATION (US) | 1998-09-17 | — | — | WO | claimed |