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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL1384708 | 0.75 | ACHE (0.89) | ACHETDP1ALDH1A1CA1CA2 | |
| P-Xylene SCHEMBL1384709 | 0.75 | — | — | |
| P-Xylene SCHEMBL1384713 | 0.75 | ACHE (0.89) | ACHETDP1ALDH1A1CA1CA2 | |
| P-Xylene SCHEMBL9119400 | 0.75 | ACHE (0.89) | ACHETDP1ALDH1A1CA1CA2 | |
| P-Xylene SCHEMBL9119408 | 0.75 | ACHE (0.89) | ACHETDP1ALDH1A1CA1CA2 | |
| SCHEMBL464793 | 0.73 | ACHE (0.57) | ACHETDP1ALDH1A1CA1CA2 | |
| Bromide SCHEMBL1271251 | 0.73 | ACHE (0.47) | ACHETDP1ALDH1A1CA1CA2 | |
| Bromide SCHEMBL1138478 | 0.73 | ACHE (0.47) | ACHETDP1ALDH1A1CA1CA2 | |
| SCHEMBL7064307 | 0.71 | ACHE (0.53) | ACHETDP1ALDH1A1CA1CA2 | |
| P-Xylene SCHEMBL11770184 | 0.71 | ACHE (1.00) | ACHETDP1ALDH1A1CA1CA2 |
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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7273948-B2 | Process of preparing esters and ethers of probucol and derivatives thereof | ATHEROGENICS, INC. (US) | 2007-09-25 | — | — | US | claimed |
| EP-1594824-A4 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS INC (US) | 2007-04-04 | — | — | EP | claimed |
| EP-1594824-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | Atherogenics, Inc. (US) | 2005-11-16 | — | — | EP | claimed |
| US-20040204485-A1 | Process of preparing esters and ethers of probucol and derivatives thereof | CRABTREE ACQUISITION CO, LLC | 2004-10-14 | — | — | US | claimed |
| WO-2004062622-A2 | PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF | ATHEROGENICS, INC. (US) | 2004-07-29 | — | — | WO | claimed |
| US-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-12-25 | — | — | US | disclosed |
| EP-2024358-B1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-11-05 | — | — | EP | disclosed |
| EP-2029575-B1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2014-03-06 | — | — | US | disclosed |
| US-8637499-B2 | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | EXELIXIS, INC. (US) | 2014-01-28 | — | — | US | disclosed |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | EXELIXIS, INC. (US) | 2014-01-23 | — | — | US | disclosed |
| EP-2643316-A2 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2002002565-A2 | GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 2002-01-10 | — | — | WO | disclosed |
| US-6307047-B1 | PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS | ABBOTT LABORATORIES | 2001-10-23 | — | — | US | disclosed |
| EP-1124804-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-1053239-A1 | GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 2000-11-22 | — | — | EP | disclosed |
| EP-1007515-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | Abbott Laboratories (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-2000024719-A1 | PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | disclosed |
| WO-1999041256-A1 | GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1999-08-19 | — | — | WO | disclosed |
| WO-1999010331-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-03-04 | — | — | 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 (4 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-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 3847/4885TDP1 4064/4885ALDH1A1 3395/4885 |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 3847/4885TDP1 4064/4885ALDH1A1 3395/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 4196/4885TDP1 3866/4885ALDH1A1 3351/4885 |
| US-20040204485-A1 | Process of preparing esters and ethers of probucol and derivatives thereof | NR3C2, MGLL, GCG | ACHE 4145/4885TDP1 4671/4885ALDH1A1 2574/4885 |
“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.