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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 SCHEMBL4026239 | 0.79 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11536088 | 0.78 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL6141762 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL1271263 | 0.77 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.76 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| Lithium SCHEMBL2300586 | 0.76 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL10653968 | 0.75 | ACHE (0.48) | CA1CA2CA7CA9ACHE | |
| SCHEMBL2885053 | 0.74 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL21825862 | 0.74 | CA1 (0.58) | CA1CA2CA7CA9CA12 |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116726991-A | PNP ligand-containing catalyst for ethylene selective tetramerization and preparation method and application thereof | 华东理工大学 | 2023-09-12 | — | — | CN | disclosed |
| 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-2164825-B1 | DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | SANOFI SA (FR) | 2014-04-30 | — | — | 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 |
| EP-2640367-A2 | BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2435426-B1 | BENZOXAZEPINES AS INHIBITORS OF PI3K/m TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS INC (US) | 2013-05-22 | — | — | EP | disclosed |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | EXELIXIS, INC. (US) | 2012-10-11 | — | — | US | disclosed |
| US-20060020019-A1 | Aryloxyalkylamine NK-1/SSRI inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-26 | — | — | US | disclosed |
| US-20050037981-A1 | Substituted indole-O-glucosides | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-17 | — | — | US | disclosed |
| WO-2005012243-A2 | SUBSTITUTED INDOLE-O-GLUCOSIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-10 | — | — | WO | disclosed |
| EP-1493741-A2 | Benzo[b]thiophene compounds, intermediates, processes, compositions and methods | Eli Lilly & Company (US) | 2005-01-05 | — | — | EP | disclosed |
| EP-0826683-B1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | LILLY CO ELI (US) | 2004-10-06 | — | — | EP | disclosed |
| US-5998442-A | ANTICHOLESTEROL AGENTS | ELI LILLY AND COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0826683-A1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1998-03-04 | — | — | EP | disclosed |
| EP-0243209-B1 | 3-SUBSTITUTED BIPHENYL COMPOUND | Chisso Corporation (JP) | 1990-08-29 | — | — | EP | disclosed |
| US-4818432-A | CHIRAL LIQUID CRYSTAL | CHISSO CORPORATION (JP) | 1989-04-04 | — | — | US | disclosed |
| EP-0243209-A2 | 3-Substituted biphenyl compound | Chisso Corporation (JP) | 1987-10-28 | — | — | EP | 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-20060020019-A1 | Aryloxyalkylamine NK-1/SSRI inhibitors | TPH1, SLC6A4, HTR1A | ACHE 1559/4885CA1 2186/4885CA2 2218/4885 |
| US-20140378436-A9 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 3847/4885CA1 1348/4885CA2 428/4885 |
| US-20140024637-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 3847/4885CA1 1348/4885CA2 428/4885 |
| US-20050037981-A1 | Substituted indole-O-glucosides | GPR119, PYGL, IAPP | ACHE 1552/4885CA1 3742/4885CA2 3224/4885 |
| US-20120258953-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | PIK3R1, PIK3R3, PIK3R2 | ACHE 4704/4885CA1 700/4885CA2 617/4885 |
| US-20140066431-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | MTOR, RICTOR, PIK3CA | ACHE 4196/4885CA1 1743/4885CA2 557/4885 |
“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.