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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.91 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.91 |
| ▸ | CASP1 | P29466 | 1/20 | 0.91 |
| ▸ | CASP7 | P55210 | 1/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6187 | 0.95 | — | — | |
| SCHEMBL5167521 | 0.95 | CYP3A4 (1.00) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL29351116 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL269980 | 0.91 | CYP3A4 (0.91) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Methane SCHEMBL21408528 | 0.91 | — | — | |
| SCHEMBL6451741 | 0.91 | — | — | |
| Fluoride SCHEMBL20497200 | 0.91 | CYP3A4 (0.91) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL22003326 | 0.91 | CYP3A4 (0.91) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL22833905 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL3134351 | 0.91 | CYP3A4 (0.91) | CYP3A4ALOX15CASP1CASP7SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |