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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.45 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.45 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | MAOB | P27338 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8375636 | 0.82 | MAOA (0.51) | MAOAMAOBHRH3 | |
| Bromide SCHEMBL9388157 | 0.79 | MAOB (0.58) | MAOAMAOBKCNH2HRH3 | |
| SCHEMBL7321621 | 0.78 | KDM4E (0.59) | KCNH2HRH3DRD2DRD3 | |
| SCHEMBL7326889 | 0.77 | MAOB (0.59) | MAOAMAOBKCNH2HRH3 | |
| SCHEMBL28027637 | 0.77 | MAOA (0.55) | MAOAMAOBHRH3 | |
| Hydrochloric Acid SCHEMBL9528868 | 0.77 | KDM4E (0.57) | KCNH2HRH3GNAO1DRD2DRD3 | |
| SCHEMBL25434209 | 0.75 | DRD2 (0.63) | MAOAMAOBKCNH2DRD2HTR1A | |
| SCHEMBL4049556 | 0.75 | MAOA (0.62) | MAOAMAOB | |
| SCHEMBL9387232 | 0.75 | KCNH2 (0.54) | KCNH2HRH3GNAO1CHRM2CHRM4 | |
| SCHEMBL19994573 | 0.75 | MAOB (1.00) | MAOAMAOB |
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-1994001403-A1 | PIPERIDINE DERIVATIVES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1994-01-20 | — | — | WO | disclosed |