Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | CHRM5 known ✓ | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.37 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | GALR3 | O60755 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5796086 | 1.00 | PTGS2 (0.39) | PTGS2CHRM5CHRM1CHRM3GALR3 | |
| SCHEMBL5794805 | 0.99 | PTGS2 (0.40) | PTGS2CHRM5CHRM1CHRM3GALR3 | |
| SCHEMBL5794812 | 0.99 | PTGS2 (0.40) | PTGS2CHRM5CHRM1CHRM3GALR3 | |
| Bromide SCHEMBL5798272 | 0.89 | AKR1C3 (0.38) | PTGS2CHRM5CHRM1CHRM3GALR3 | |
| Bromide SCHEMBL5798275 | 0.89 | AKR1C3 (0.38) | PTGS2CHRM5CHRM1CHRM3GALR3 | |
| SCHEMBL5795384 | 0.88 | AKR1C3 (0.39) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| SCHEMBL5795381 | 0.88 | AKR1C3 (0.39) | PTGS2CHRM5CHRM1CHRM3ESR2 | |
| SCHEMBL3480502 | 0.87 | PTGS2 (0.42) | PTGS2ESR2 | |
| SCHEMBL3480499 | 0.87 | PTGS2 (0.42) | PTGS2ESR2 | |
| SCHEMBL5798485 | 0.84 | PTGS2 (0.45) | PTGS2ESR2 |
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-2006044230-A1 | WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |