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 | 3/20 | 0.42 |
| ▸ | CHKA known ✓ | P35790 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6162141 | 0.98 | CYP2D6 (0.47) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL31130749 | 0.98 | CYP2D6 (0.47) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL6697756 | 0.96 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10333361 | 0.84 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL25262661 | 0.82 | KDM4E (0.42) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL11799324 | 0.80 | ALDH1A1 (0.37) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL25282130 | 0.78 | ACHE (0.49) | ALDH1A1SMN1; SMN2KDM4EHTTNPC1 | |
| Bromide SCHEMBL30982171 | 0.75 | SMN1; SMN2 (0.57) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL9348117 | 0.75 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL7496125 | 0.75 | CYP2D6 (0.46) | CYP2D6CYP2C19ALDH1A1SMN1; SMN2KDM4E |
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-4105673-A | PROCESS FOR THE PREPARATION OF LACTONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1978-08-08 | — | — | US | claimed |
| US-20200217852-A1 | Quantitation of Free and Total N-Acetylcysteine Amide and Its Metabolite N-Acetylcysteine in Human Plasma Using Derivatization and Electrospray LC-MS/MS | NACUITY PHARMACEUTICALS, INC. | 2020-07-09 | — | — | US | disclosed |
| US-8637562-B2 | Methods for detecting sulfhydryl-containing compounds in a biological test sample | THERAVANCE, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2601048-A2 | COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS | The Sun Products Corporation (US) | 2013-06-12 | — | — | EP | disclosed |
| US-20130109046-A1 | METHODS FOR DETECTING SULFHYDRYL-CONTAINING COMPOUNDS IN A BIOLOGICAL TEST SAMPLE | THERAVANCE, INC. (US) | 2013-05-02 | — | — | US | disclosed |
| US-8362061-B2 | Methods for detecting sulfhydryl-containing compounds in a biological test sample | THERAVANCE, INC. (US) | 2013-01-29 | — | — | US | disclosed |
| US-20120264223-A1 | METHODS FOR DETECTING SULFHYDRYL-CONTAINING COMPOUNDS IN A BIOLOGICAL TEST SAMPLE | THERAVANCE, INC. (US) | 2012-10-18 | — | — | US | disclosed |
| US-20120196375-A1 | Compositions and Methods for Detection of Soils on Fabrics | THE SUN PRODUCTS CORPORATION (US) | 2012-08-02 | — | — | US | disclosed |
| US-8232306-B2 | Methods for detecting sulfhydryl-containing compounds in a biological test sample | THERAVANCE, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| WO-2012019030-A2 | COMPOSITIONS AND METHODS FOR DETECTION OF SOILS ON FABRICS | THE SUN PRODUCTS CORPORATION (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2010045420-A1 | METHODS FOR DETECTING SULFHYDRYL-CONTAINING COMPOUNDS IN A BIOLOGICAL TEST SAMPLE | THERAVANCE, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| US-20100099134-A1 | METHODS FOR DETECTING SULFHYDRYL-CONTAINING COMPOUNDS IN A BIOLOGICAL TEST SAMPLE | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-04-22 | — | — | US | disclosed |
| US-20050103627-A1 | Methods of selective capillary electrophoresis | BRUKER DALTONIK GMBH (DE) | 2005-05-19 | — | — | US | disclosed |
| US-4206310-A | Process for the preparation of esters | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-06-03 | — | — | US | disclosed |
| US-4105673-A | PROCESS FOR THE PREPARATION OF LACTONES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1978-08-08 | — | — | US | disclosed |