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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 SCHEMBL27678294 | 0.79 | TRPA1 (0.42) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL464794 | 0.77 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL362697 | 0.76 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL27639362 | 0.76 | TRPA1 (0.44) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL165159 | 0.76 | TSHR (0.45) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL959600 | 0.72 | — | — | |
| SCHEMBL1314056 | 0.72 | — | — | |
| SCHEMBL170136 | 0.72 | — | — | |
| SCHEMBL31463495 | 0.72 | — | — | |
| SCHEMBL29881812 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111943977-B | Bimetallic complex of aryloxy ether skeleton, preparation method and application | 万华化学集团股份有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-111848662-B | Coordination compound containing IVB group metal, preparation method and application | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-111943977-A | Bimetallic complex of aryloxy ether skeleton, preparation method and application | 万华化学集团股份有限公司 | 2020-11-17 | — | — | CN | disclosed |
| CN-111848662-A | Coordination compound containing IVB group metal, preparation method and application | 万华化学集团股份有限公司 | 2020-10-30 | — | — | CN | disclosed |
| EP-1620102-B1 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH CORP (US) | 2008-12-24 | — | — | EP | disclosed |
| US-20070299105-A1 | 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use | WYETH (US) | 2007-12-27 | — | — | US | disclosed |
| EP-1620102-A2 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | Wyeth (US) | 2006-02-01 | — | — | EP | disclosed |
| US-20050256132-A1 | Use of ER selective NF-kB inhibitors for the treatment of sepsis | WYETH (US) | 2005-11-17 | — | — | US | disclosed |
| US-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | WYETH | 2005-01-06 | — | — | US | disclosed |
| WO-2004099150-A2 | 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS | WYETH (US) | 2004-11-18 | — | — | WO | disclosed |
| US-6146554-A | FOR PHOTOCHROMIC PLASTIC LENSES IN MASS-DYEING PROCESSES | OPTISCHE WERKE G. RODENSTOCK (DE) | 2000-11-14 | — | — | US | disclosed |
| CN-1032786-A | N-acyl amino acid derivative and uses thereof | BANYU PHARMA CO LTD (JP) | 1989-05-10 | — | — | CN | 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-20050256132-A1 | Use of ER selective NF-kB inhibitors for the treatment of sepsis | NFKBIA, IKBKB, NFKB2 | ACHE 4818/4885TSHR 1982/4885ALDH1A1 4483/4885 |
| US-20070299105-A1 | 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use | HCAR2, PCCA, MCCC2 | ACHE 3173/4885TSHR 2918/4885ALDH1A1 1159/4885 |
| US-20050004164-A1 | 2-Cyanopropanoic acid amide and ester derivatives and methods of their use | HCAR2, PCCA, MCCC2 | ACHE 3446/4885TSHR 1937/4885ALDH1A1 1172/4885 |
“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.