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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL146933 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL4425101 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL986201 | 0.95 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL29179 | 0.95 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL30486913 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL9322645 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL3930010 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL28797563 | 0.92 | CYP3A4 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL689027 | 0.92 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL7164452 | 0.92 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1384717-A2 | Tetrazolylphenylboronic acid intermediates for the synthesis of A II receptor antagonists | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-01-28 | — | — | EP | claimed |
| EP-0643704-A4 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS. | — | 1995-04-12 | — | — | EP | claimed |
| EP-0643704-A1 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-03-22 | — | — | EP | claimed |
| US-5310928-A | Process for preparing biphenyltetrazole compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-05-10 | — | — | US | claimed |
| WO-1993010106-A1 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-05-27 | — | — | WO | claimed |
| US-20130190487-A1 | PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF | KRKA (SL) | 2013-07-25 | — | — | US | disclosed |
| US-7868180-B2 | Process for the preparation of sartan derivatives and intermediates useful in such process | KRKA, D.D. NOVO MESTO (SI) | 2011-01-11 | — | — | US | disclosed |
| EP-2125715-A2 | PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF | KRKA (SI) | 2009-12-02 | — | — | EP | disclosed |
| US-20080312451-A1 | Process For the Preparation of Sartan Derivatives and Intermediates Useful in Such Process | KRKA, D.D. NOVO MESTO (SK) | 2008-12-18 | — | — | US | disclosed |
| WO-2008089984-A2 | PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF | KRKA (SI) | 2008-07-31 | — | — | WO | disclosed |
| EP-1931655-A2 | A PROCESS FOR THE PREPARATION OF SARTAN DERIVATIVES AND INTERMEDIATES USEFUL IN SUCH PROCESS | KRKA, D.D., Novo Mesto (SI) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007039117-A2 | A PROCESS FOR THE PREPARATION OF SARTAN DERIVATIVES AND INTERMEDIATES USEFUL IN SUCH PROCESS | KRKA, D.D., NOVO, MESTO (SI) | 2007-04-12 | — | — | WO | disclosed |
| EP-1764365-A1 | A process for the preparation of sartan derivates and intermediates useful in such process | KRKA, D.D., Novo Mesto (SI) | 2007-03-21 | — | — | EP | disclosed |
| EP-1384717-A2 | Tetrazolylphenylboronic acid intermediates for the synthesis of A II receptor antagonists | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-01-28 | — | — | EP | disclosed |
| EP-0643704-A4 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS. | — | 1995-04-12 | — | — | EP | disclosed |
| EP-0643704-A1 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5310928-A | Process for preparing biphenyltetrazole compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-05-10 | — | — | US | disclosed |
| WO-1993010106-A1 | TETRAZOLYLPHENYLBORONIC ACID INTERMEDIATES FOR THE SYNTHESIS OF AII RECEPTOR ANTAGONISTS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-05-27 | — | — | WO | 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 (2 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-20130190487-A1 | PROCESS FOR THE PREPARATION OF EZETIMIBE AND DERIVATIVES THEREOF | PCSK9, HMGCR, APOB | CYP3A4 160/4885TDP1 4666/4885ESR1 4267/4885 |
| US-20080312451-A1 | Process For the Preparation of Sartan Derivatives and Intermediates Useful in Such Process | MC5R, NPY5R, ADRA1D | CYP3A4 279/4885TDP1 4610/4885ESR1 2356/4885 |
“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.