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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28041389 | 0.97 | HTT (0.47) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Iodide SCHEMBL2215328 | 0.95 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL2823747 | 0.95 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL16105820 | 0.78 | DAO (0.55) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL3299911 | 0.78 | CYP17A1 (0.52) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6203927 | 0.76 | HTT (0.47) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL8951123 | 0.75 | DAO (0.44) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| Bromide SCHEMBL582107 | 0.75 | KIF11 (0.53) | CYP11B1CYP11B2DAOKDM1A | |
| SCHEMBL126440 | 0.74 | HTT (0.45) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL126441 | 0.74 | TRPA1 (0.46) | HTTALDH1A1CYP17A1CYP11B1CYP11B2 |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859546-B2 | Picolinamide inhibitors of kinases | ABBVIE INC. (US) | 2014-10-14 | — | — | US | disclosed |
| EP-2665711-A1 | PICOLINAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8415378-B2 | Isoxazol-3(2H)-one analogs as therapeutic agents | ASTRAZENECA AB (SE) | 2013-04-09 | — | — | US | disclosed |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | US | disclosed |
| WO-2012100135-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| EP-2417131-A1 | ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS | AstraZeneca AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| US-20110269741-A1 | NOVEL COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCES, INC. (US) | 2011-11-03 | — | — | US | disclosed |
| US-8026241-B2 | Vanilloid receptor ligands and their use in treatments | AMGEN INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20110166123-A1 | NOVEL COMPOSITIONS AND METHODS OF USE | AARDEA BIOSCIENCES, INC. (US) | 2011-07-07 | — | — | US | disclosed |
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| EP-1631562-A1 | CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | Pharmacia Corporation (US) | 2006-03-08 | — | — | EP | disclosed |
| EP-1615905-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | Pharmacia Corporation (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1551811-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | Amgen Inc. (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20050148627-A1 | Benzopyran compounds for use in the treatment and prevention of inflammation related conditions | CARTER JEFFERY (US) | 2005-07-07 | — | — | US | disclosed |
| US-20050148777-A1 | Benzopyran compounds useful for treating inflammatory conditions | CARTER JEFFERY (US) | 2005-07-07 | — | — | US | disclosed |
| WO-2005042491-A1 | BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES | ARENA PHARMACEUTICALS, INC. (US) | 2005-05-12 | — | — | WO | disclosed |
| WO-2004087687-A1 | CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | WO | disclosed |
| WO-2004087686-A2 | BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS | PHARMACIA CORPORATION (US) | 2004-10-14 | — | — | WO | disclosed |
| US-20040152690-A1 | Vanilloid receptor ligands and their use in treatments | AMGEN INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004035549-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS | AMGEN INC. (US) | 2004-04-29 | — | — | 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 (6 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-20050148777-A1 | Benzopyran compounds useful for treating inflammatory conditions | PTGES2, PTGER2, PTGS2 | HTT 3284/4885ALDH1A1 560/4885CYP17A1 783/4885 |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ALK, PKN2, ERBB2 | HTT 3410/4885ALDH1A1 2475/4885CYP17A1 4313/4885 |
| US-20110166123-A1 | NOVEL COMPOSITIONS AND METHODS OF USE | TYMP, SAMHD1, PNP | HTT 4411/4885ALDH1A1 1976/4885CYP17A1 713/4885 |
| US-20040152690-A1 | Vanilloid receptor ligands and their use in treatments | TRPV1, TRPV3, TRPV2 | HTT 2624/4885ALDH1A1 2522/4885CYP17A1 3572/4885 |
| US-20110269741-A1 | NOVEL COMPOSITIONS AND METHODS OF USE | TYMP, SAMHD1, PNP | HTT 4411/4885ALDH1A1 1976/4885CYP17A1 713/4885 |
| US-20050148627-A1 | Benzopyran compounds for use in the treatment and prevention of inflammation related conditions | PTGES2, PTGER2, PTGES | HTT 2380/4885ALDH1A1 422/4885CYP17A1 432/4885 |
“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.