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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.38 |
| ▸ | CHKA known ✓ | P35790 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CCR4 | P51679 | 1/20 | 0.39 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL904080 | 0.99 | CDK1 (0.47) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147601 | 0.73 | KDM4E (0.84) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147600 | 0.72 | KDM4E (0.82) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL1147663 | 0.72 | KDM4E (0.82) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26752917 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26752922 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26752920 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26753172 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26752678 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 | |
| SCHEMBL26753175 | 0.72 | KDM4E (0.43) | CDK1KDM4ELMNAHTTHSD17B10 |
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-2012041493-A1 | AMINOQUINOLINIUM SALTS, METHODS OF THEIR PRODUCTION AND THEIR USE AS ACTIVE AGENTS FOR BIOTECHNOLOGICAL AND MEDICAL APPLICATIONS AGAINST BINARY TOXINS | JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) | 2012-04-05 | — | — | WO | disclosed |