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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.66 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2914172 | 0.98 | CYP19A1 (0.68) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2907637 | 0.83 | CFTR (0.63) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL6177191 | 0.81 | CFTR (0.61) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL10674497 | 0.79 | CYP19A1 (1.00) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL5873324 | 0.79 | CYP19A1 (0.62) | CYP19A1 | |
| SCHEMBL11374142 | 0.78 | CYP19A1 (0.70) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2912464 | 0.77 | CYP19A1 (0.64) | CYP19A1 | |
| SCHEMBL3299165 | 0.77 | CYP19A1 (0.68) | CYP19A1SLC6A2SLC6A4SLC6A3FFAR2 | |
| SCHEMBL6505748 | 0.76 | CYP19A1 (0.68) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2908868 | 0.76 | SMN1; SMN2 (0.72) | CYP19A1CFTRSLC6A2SLC6A4SLC6A3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132414-B2 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | AVENTIS PHARMA S.A. (FR) | 2006-11-07 | — | — | US | disclosed |
| CN-1187325-C | Pharmaceutical compositions containing 3-amino-azetidine derivatives, novel derivatives and preparation thereof | AVENTIS PHARMA SA (FR) | 2005-02-02 | — | — | CN | disclosed |
| US-20040157823-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | AVENTIS PHARMA S.A. (FR) | 2004-08-12 | — | — | US | disclosed |
| US-6734176-B2 | ARE CB1-RECEPTOR ANTAGONISTS AND ARE USEFUL IN THE TREATMENT AND PREVENTION OF DISORDERS AFFECTING THE CENTRAL NERVOUS, IMMUNE, CARDIOVASCULAR OR ENDOCRINE, RESPIRATORY, GASTROINTESTINAL AND REPRODUCTIVE SYSTEMS; DRUG ABUSE | AVENTIS PHARMA S.A. (FR) | 2004-05-11 | — | — | US | disclosed |
| US-20030119810-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | AVENTIS PHARMA S.A. (FR) | 2003-06-26 | — | — | US | disclosed |
| US-6566356-B2 | 3-amido or 3-sulfonylamino azetidine compounds and their preparation; high affinity for cannabinoid receptor CB1 type, useful in treating central nervous system, immune, gastrointestinal or cardiovascular disorders, drug abuse | AVENTIS PHARMA S.A. (FR) | 2003-05-20 | — | — | US | disclosed |
| CN-1411440-A | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and process for preparing same | AVENTIS PHARMA SA (FR) | 2003-04-16 | — | — | CN | disclosed |
| US-20020019383-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | AVENTIS PHARMA S.A. (FR) | 2002-02-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020019383-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | HRH2, ALK, HRH1 | SLC6A2 1751/4885SLC6A4 1229/4885SLC6A3 2260/4885 |
| US-20040157823-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | ALK, HRH2, HRH1 | SLC6A2 957/4885SLC6A4 673/4885SLC6A3 1073/4885 |
| US-20030119810-A1 | Pharmaceutical compositions containing 3-aminoazetidine derivatives, novel derivatives and their preparation | ALK, HRH2, HRH1 | SLC6A2 957/4885SLC6A4 673/4885SLC6A3 1073/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.