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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6747582 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL3193717 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL29692997 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL29556770 | 0.96 | TDP1 (0.92) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL417857 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL5167893 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL6392383 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL1437177 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL3156048 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Bromide SCHEMBL3790777 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113200964-B | 18F-labeled EGFR positron imaging agent and preparation method and application thereof | 南方医科大学南方医院 | 2022-07-05 | — | — | CN | disclosed |
| US-9834569-B2 | Process for producing tetrakis(Faryl)borate salts | ALBEMARLE CORPORATION (US) | 2017-12-05 | — | — | US | disclosed |
| US-9809560-B2 | Ligands and methods for labeling biomolecules in vivo | ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) | 2017-11-07 | — | — | US | disclosed |
| US-20170313725-A1 | Process For Producing Tetrakis(F aryl)Borate Salts | W. R. GRACE & CO-CONN. | 2017-11-02 | — | — | US | disclosed |
| US-9738662-B2 | Process for producing tetrakis(F aryl)borate salts | ALBEMARLE CORPORATION (US) | 2017-08-22 | — | — | US | disclosed |
| EP-2925766-B1 | PROCESS FOR PRODUCING TETRAKIS(F ARYL)BORATE SALTS | ALBEMARLE CORP (US) | 2016-07-13 | — | — | EP | disclosed |
| US-9206271-B2 | Fully backbone degradable and functionalizable polymers derived from the ring-opening metathesis polymerization (ROMP) | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2015-12-08 | — | — | US | disclosed |
| EP-2925766-A1 | PROCESS FOR PRODUCING TETRAKIS(F ARYL)BORATE SALTS | Albemarle Corporation (US) | 2015-10-07 | — | — | EP | disclosed |
| US-20150259362-A1 | Process For Producing Tetrakis(F aryl)Borate Salts | W. R. GRACE & CO.-CONN. | 2015-09-17 | — | — | US | disclosed |
| WO-2014085058-A1 | PROCESS FOR PRODUCING TETRAKIS(FARYL)BORATE SALTS | ALBEMARLE CORPORATION (US) | 2014-06-05 | — | — | WO | disclosed |
| US-20130295019-A1 | LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNI (US) | 2013-11-07 | — | — | US | disclosed |
| US-20130281644-A1 | Fully Backbone Degradable and Functionalizable Polymers Derived from the Ring-Opening Metathesis Polymerization (ROMP) | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-10-24 | — | — | US | disclosed |
| WO-2012021390-A1 | LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2012-02-16 | — | — | WO | disclosed |
| US-20100144872-A1 | New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation | BIOLIPOX AB | 2010-06-10 | — | — | US | disclosed |
| US-7473797-B2 | Methods of 1,3-enyne preparation using copper (I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| US-7473786-B1 | Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2009-01-06 | — | — | US | disclosed |
| EP-1745006-A4 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | UNIV MASSACHUSETTS (US) | 2008-04-23 | — | — | EP | disclosed |
| EP-1745006-A2 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | University of Massachusetts (US) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005116198-A2 | METHODS OF 1,3-ENYNE PREPARATION USING COPPER (I) CATALYSTS | UNIVERSITY OF MASSACHUSETTS (US) | 2005-12-08 | — | — | WO | disclosed |
| US-20050255575-A1 | Methods of 1,3-enyne preparation using copper (I) catalysts | NATIONAL SCIENCE FOUNDATION | 2005-11-17 | — | — | 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 (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-20130295019-A1 | LIGANDS AND METHODS FOR LABELING BIOMOLECULES IN VIVO | FABP1, TK1, FABP7 | ACHE 834/4885TDP1 1157/4885CYP3A4 3649/4885 |
| US-20100144872-A1 | New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation | LTC4S, LTB4R2, LTB4R | ACHE 753/4885TDP1 3036/4885CYP3A4 280/4885 |
“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.