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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6932180 | 0.76 | SIGMAR1 (0.47) | SIGMAR1POLBKMT2AMEN1ADRB1 | |
| Bromide SCHEMBL18523399 | 0.72 | TRPA1 (0.35) | KMT2AMEN1 | |
| SCHEMBL2425734 | 0.69 | SIGMAR1 (0.61) | SIGMAR1POLBKMT2AMEN1OPRD1 | |
| Phenol SCHEMBL27576256 | 0.69 | SIGMAR1 (0.56) | SIGMAR1POLBKMT2AOPRD1ABCC1 | |
| SCHEMBL6931654 | 0.69 | ADRB1 (0.45) | SIGMAR1POLBKMT2AADRB1HTR3A | |
| Phenol SCHEMBL27491388 | 0.68 | SIGMAR1 (0.54) | SIGMAR1POLBKMT2AOPRD1ABCC1 | |
| SCHEMBL24248153 | 0.67 | CHRNB2 (0.43) | SIGMAR1 | |
| SCHEMBL15221256 | 0.67 | POLB (0.44) | SIGMAR1POLBKMT2AADRB1HTR3E | |
| Biphenyl SCHEMBL27296417 | 0.67 | SIGMAR1 (0.58) | SIGMAR1POLBKMT2AMEN1RXFP1 | |
| SCHEMBL28920526 | 0.67 | SIGMAR1 (0.58) | SIGMAR1POLBKMT2AMEN1OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121776-A1 | TETHERED SUPPORTED TRANSITION METAL COMPLEX | Dow Global Technologies Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008109628-A1 | TETHERED SUPPORTED TRANSITION METAL COMPLEX | DOW GLOBAL TECHNOLOGIES INC. (US) | 2008-09-12 | — | — | WO | disclosed |