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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.36 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.36 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | GNAI3 | P08754 | 6/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 6/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 6/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6855187 | 0.77 | NCF1 (0.35) | GNAI3GNAO1GNAI1EPHX1SMN1; SMN2 | |
| SCHEMBL5227695 | 0.76 | SMN1; SMN2 (0.67) | GNAI3GNAO1GNAI1BCHEEPHX1 | |
| SCHEMBL6059143 | 0.75 | GNAO1 (0.52) | GNAI3GNAO1GNAI1KCNH2 | |
| SCHEMBL1615678 | 0.75 | GNAO1 (0.50) | GNAI3GNAO1GNAI1KCNH2 | |
| SCHEMBL28062553 | 0.74 | HTR2A (0.59) | KCNH2CHRM3ADRA2CADRA1B | |
| Bromide SCHEMBL5227189 | 0.73 | HTR4 (0.51) | GNAI3GNAO1GNAI1BCHEEPHX1 | |
| SCHEMBL15471632 | 0.73 | GNAO1 (0.44) | GNAI3GNAO1GNAI1EPHX1EPHX2 | |
| SCHEMBL11960652 | 0.72 | EPHX1 (0.57) | GNAI3GNAO1GNAI1BCHEEPHX1 | |
| SCHEMBL27762899 | 0.72 | CHRM3 (0.49) | GNAI3GNAO1GNAI1BCHEEPHX1 | |
| SCHEMBL8397189 | 0.72 | GNAI3 (0.41) | GNAI3GNAO1GNAI1BCHEEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0927163-B1 | PREPARATION OF 1-BUTYL-4-PIPERIDINYLMETHYLAMINE | SMITHKLINE BEECHAM PLC (GB) | 2007-03-28 | — | — | EP | disclosed |