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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D known ✓ | P25100 | 3/20 | 0.64 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.64 |
| ▸ | ADRA1B known ✓ | P35368 | 3/20 | 0.64 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.64 |
| ▸ | HTR1B known ✓ | P28222 | 1/20 | 0.64 |
| ▸ | DRD2 | P14416 | 2/20 | 0.64 |
| ▸ | DRD3 | P35462 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL9016003 | 0.98 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| Water SCHEMBL9016012 | 0.98 | ADRA1D (0.64) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| Oxalic Acid SCHEMBL7647400 | 0.90 | ADRA1D (0.67) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| SCHEMBL9539641 | 0.86 | HTR1A (0.80) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| SCHEMBL9016010 | 0.86 | HTR1A (0.60) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| SCHEMBL9016006 | 0.86 | ADRA1A (0.53) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| Hydrochloric Acid SCHEMBL7648139 | 0.85 | HTR1A (0.79) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| SCHEMBL7649296 | 0.84 | HTR1A (0.58) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| SCHEMBL9540919 | 0.82 | ADRA1D (0.82) | ADRA1DADRA1AADRA1BDRD2HTR1A | |
| Fumaric Acid SCHEMBL7646648 | 0.81 | HTR1A (0.55) | ADRA1DADRA1AADRA1BDRD2HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0563345-B1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB INC (US) | 2002-07-03 | — | — | EP | disclosed |
| EP-0563345-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1993004682-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |