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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 6/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19417392 | 0.89 | HTT (0.44) | SLC18A3CYP11B2SMN1; SMN2HAO1 | |
| SCHEMBL128335 | 0.89 | HTT (0.44) | SLC18A3CYP11B2SMN1; SMN2HAO1 | |
| SCHEMBL4050011 | 0.87 | HDAC1 (0.45) | CYP11B2CYP2D6SMN1; SMN2CYP2C9HAO1 | |
| Bromide SCHEMBL28088337 | 0.87 | SLC18A3 (0.61) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL790829 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL19262690 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL19198566 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL447032 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL42833 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO | |
| SCHEMBL30731352 | 0.85 | SLC18A3 (0.63) | SLC18A3SIGMAR1CYP11B2CYP2D6KMO |
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-6358665-B1 | ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE | CLARIANT INTERNATIONAL LTD. (CH) | 2002-03-19 | — | — | US | disclosed |
| EP-1033624-A1 | RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE | Clariant International Ltd. (CH) | 2000-09-06 | — | — | EP | disclosed |