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 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557331 | 0.98 | MAPT (0.44) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL5509050 | 0.83 | MAPT (0.44) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL9667392 | 0.80 | KIF11 (0.44) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL27592432 | 0.76 | TAAR1 (0.41) | MAPTKMT2ACYP2D6CYP3A4KCNN4 | |
| SCHEMBL20293767 | 0.76 | MAPT (0.47) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL17653676 | 0.75 | CYP2D6 (0.43) | MAPTKMT2ACYP2D6CYP3A4TSHR | |
| SCHEMBL8938100 | 0.75 | MAPT (0.50) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL17653674 | 0.75 | CYP2D6 (0.43) | MAPTKMT2ACYP2D6CYP3A4TSHR | |
| SCHEMBL4561507 | 0.75 | CYP2D6 (0.50) | MAPTKMT2AHTTCYP2D6CYP3A4 | |
| SCHEMBL6179245 | 0.75 | MAPT (0.40) | MAPTKMT2AKDM4ESMN1; SMN2KIF11 |
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-2008096121-A1 | COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE | ASTRAZENECA AB (SE) | 2008-08-14 | — | — | WO | disclosed |