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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.30 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3239761 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL841580 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL4059880 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL4062252 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL4058133 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL4067401 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL840549 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| SCHEMBL14380155 | 0.98 | TSHR (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL3245280 | 0.96 | GNAI3 (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL5350258 | 0.96 | GNAI3 (0.36) | TSHRTHRBGNAI3GNAO1GNAI1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10750746-B2 | Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2020-08-25 | — | — | US | disclosed |
| US-20190116797-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) | UNIV FLORIDA (US) | 2019-04-25 | — | — | US | disclosed |
| US-10174042-B2 | Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) | STC.UNM (US) | 2019-01-08 | — | — | US | disclosed |
| US-10092000-B2 | Structure, synthesis, and applications for oligo phenylene ethynylenes (OPEs) | STC.UNM (US) | 2018-10-09 | — | — | US | disclosed |
| US-10058099-B2 | Antimicrobial materials and methods | STC.UNM (US) | 2018-08-28 | — | — | US | disclosed |
| US-20170164614-A1 | ANTIMICROBIAL MATERIALS AND METHODS | UNIV FLORIDA (US) | 2017-06-15 | — | — | US | disclosed |
| US-20170057970-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) | WHITTEN DAVID G (US) | 2017-03-02 | — | — | US | disclosed |
| US-9549549-B2 | Antimicrobial materials and methods | STC.UNM (US) | 2017-01-24 | — | — | US | disclosed |
| US-9527806-B2 | Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) | STC.UNM (US) | 2016-12-27 | — | — | US | disclosed |
| US-20140242148-A1 | ANTIMICROBIAL MATERIALS AND METHODS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20130273800-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR OLIGO PHENYLENE ETHYNYLENES (OPEs) | OFFICE OF TECHNOLOGY LICENSING (US) | 2013-10-17 | — | — | US | disclosed |
| US-20130210828-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2013-08-15 | — | — | US | disclosed |
| WO-2013020096-A2 | ANTIMICROBIAL MATERIALS AND METHODS | STC.UNM (US) | 2013-02-07 | — | — | WO | disclosed |
| WO-2012009472-A2 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR OLIGO PHENYLENE ETHYNYLENES (OPES) | STC.UNM (US) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012009484-A2 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPES) | STC.UNM (US) | 2012-01-19 | — | — | 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 (10 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-10174042-B2 | Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) | PGLS, POLI, PARN | TSHR 4142/4885THRB 4556/4885GNAI3 4303/4885 |
| US-20130210828-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) | PGLS, POLI, PARN | TSHR 4142/4885THRB 4556/4885GNAI3 4303/4885 |
| US-20190116797-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY(PHENYLENE ETHYNYLENES) (PPEs) | PGLS, POLI, PARN | TSHR 4150/4885THRB 4557/4885GNAI3 4305/4885 |
| US-20170057970-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR POLY (PHENYLENE) ETHYNYLENES (PPEs) | PGLS, POLI, PARN | TSHR 4142/4885THRB 4556/4885GNAI3 4303/4885 |
| US-10092000-B2 | Structure, synthesis, and applications for oligo phenylene ethynylenes (OPEs) | POLI, EIF2AK2, MAVS | TSHR 4239/4885THRB 4450/4885GNAI3 4399/4885 |
| US-20130273800-A1 | STRUCTURE, SYNTHESIS, AND APPLICATIONS FOR OLIGO PHENYLENE ETHYNYLENES (OPEs) | POLI, EIF2AK2, DPP8 | TSHR 4474/4885THRB 4558/4885GNAI3 4319/4885 |
| US-20170164614-A1 | ANTIMICROBIAL MATERIALS AND METHODS | AOC3, OGFOD1, DDT | TSHR 3574/4885THRB 4033/4885GNAI3 3020/4885 |
| US-20140242148-A1 | ANTIMICROBIAL MATERIALS AND METHODS | AOC3, OGFOD1, DDT | TSHR 3574/4885THRB 4033/4885GNAI3 3020/4885 |
| US-10058099-B2 | Antimicrobial materials and methods | AOC3, OGFOD1, DDT | TSHR 3574/4885THRB 4033/4885GNAI3 3020/4885 |
| US-10750746-B2 | Structure, synthesis, and applications for poly (phenylene) ethynylenes (PPEs) | PGLS, POLI, PARN | TSHR 4142/4885THRB 4556/4885GNAI3 4303/4885 |
“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.