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 | |
|---|---|---|---|---|
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.32 |
| ▸ | FLT1 | P17948 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 2/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13573929 | 0.98 | UHRF1 (0.43) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| SCHEMBL20901334 | 0.86 | UHRF1 (0.46) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| SCHEMBL4358691 | 0.86 | UHRF1 (0.50) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| Bromide SCHEMBL5762760 | 0.83 | SKP2 (0.46) | UHRF1KCNQ2GSK3AGSK3BSKP2 | |
| SCHEMBL4355540 | 0.82 | UHRF1 (0.54) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| SCHEMBL9402852 | 0.81 | SKP2 (0.47) | UHRF1KCNQ2GSK3AGSK3BSKP2 | |
| SCHEMBL4282403 | 0.79 | UHRF1 (0.43) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| SCHEMBL26944235 | 0.79 | UHRF1 (0.43) | UHRF1KCNQ2GSK3AGSK3BGRM5 | |
| SCHEMBL12288701 | 0.79 | HRH1 (0.46) | UHRF1KCNQ2GSK3AGSK3BNOS3 | |
| SCHEMBL1980498 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009153536-A1 | 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | ARGENTA DISCOVERY LIMITED (GB) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009154555-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA2-ADRENOCEPTOR AGONIST | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | WO | disclosed |
| WO-2009154554-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT | ASTRAZENECA AB (SE) | 2009-12-23 | — | — | WO | disclosed |