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 | 0.53 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.53 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.53 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.53 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.53 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.53 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.53 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952933 | 0.99 | CHRM5 (0.54) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL13006924 | 0.82 | CHRM5 (0.79) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| Darifenacin SCHEMBL2324542 | 0.78 | CHRM5 (0.87) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL14001605 | 0.75 | CHRM5 (0.79) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL13590323 | 0.75 | CHRM5 (0.79) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL10361029 | 0.73 | MC4R (0.49) | CHRM1CHRM2CHRM3NPC1RAB9A | |
| SCHEMBL20563412 | 0.73 | NPC1 (0.56) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL5657376 | 0.72 | MEN1 (0.43) | CHRM1CHRM2CHRM3SLC6A4MAPT | |
| SCHEMBL25973998 | 0.71 | CHRM5 (0.55) | CHRM5CHRM1CHRM2CHRM4CHRM3 | |
| Darifenacin SCHEMBL453486 | 0.70 | CHRM5 (0.98) | CHRM5CHRM1CHRM2CHRM4CHRM3 |
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-2009125426-A2 | NOVEL PROCESS FOR THE PREPARATION OF (3SM-[2-(2 J-DIHYDRO-5- BENZOFURANYLϊETHYL]-α.α -DIPHENYL-3-PYRROLIDINEACETAMIDE HYDROBROMIDE | NEULAND LABORATORIES LTD (IN) | 2009-10-15 | — | — | WO | disclosed |