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 | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 8/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 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 | |
|---|---|---|---|---|
| SCHEMBL330205 | 0.98 | PDCD1 (0.44) | PDCD1CD274PNMTTLR9TLR8 | |
| Hydrochloric Acid SCHEMBL6765448 | 0.96 | PDCD1 (0.43) | PDCD1CD274PNMTTLR9TLR8 | |
| SCHEMBL21451979 | 0.87 | PDCD1 (0.36) | PDCD1CD274PNMTTLR9TLR8 | |
| Bromide SCHEMBL15021264 | 0.86 | PDCD1 (0.35) | PDCD1CD274PNMTPDE10A | |
| SCHEMBL31143437 | 0.85 | PDCD1 (0.39) | PDCD1CD274PNMTTLR9TLR8 | |
| SCHEMBL6436015 | 0.84 | PDCD1 (0.36) | PDCD1CD274PNMTPDE10A | |
| SCHEMBL15910247 | 0.82 | PDCD1 (0.48) | PDCD1CD274PNMTTLR9TLR7 | |
| Hydrochloric Acid SCHEMBL7677012 | 0.82 | PDCD1 (0.35) | PDCD1CD274PNMTPDE10A | |
| Bromide SCHEMBL2261045 | 0.82 | PDCD1 (0.31) | PDCD1CD274 | |
| Bromide SCHEMBL20899228 | 0.82 | PDCD1 (0.31) | PDCD1CD274 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11267825-B2 | Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) | AICURIS GMBH & CO. KG (DE) | 2022-03-08 | — | — | US | disclosed |
| US-20200354379-A1 | NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) | AICURIS GMBH & CO. KG (DE) | 2020-11-12 | — | — | US | disclosed |
| EP-3704127-A1 | NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) | AiCuris GmbH & Co. KG (DE) | 2020-09-09 | — | — | EP | disclosed |
| CN-111448199-A | Novel highly active amino-thiazole-substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) | 艾库里斯有限及两合公司 | 2020-07-24 | — | — | CN | disclosed |
| EP-3049396-B1 | PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2017-11-15 | — | — | EP | disclosed |
| US-20170210751-A1 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-07-27 | — | — | US | disclosed |
| EP-3160466-A2 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-05-03 | — | — | EP | disclosed |
| EP-3049396-A1 | PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS | Boehringer Ingelheim International GmbH (DE) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015200677-A2 | PRMT5 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2015-12-30 | — | — | WO | disclosed |
| US-9051289-B2 | Process and intermediates for preparing GPR40 agonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-06-09 | — | — | US | disclosed |
| WO-2015044073-A1 | PROCESS AND INTERMEDIATES FOR PREPARING INDANYLOXYDIHYDROBENZOFURANYL ACETIC ACID DERIVATIVES AS GPR40 AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-04-02 | — | — | WO | disclosed |
| US-20150087829-A1 | PROCESS AND INTERMEDIATES FOR PREPARING GPR40 AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-03-26 | — | — | US | disclosed |
| EP-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | 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 (5 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-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | PYGL, GYS2, G6PC1 | PDCD1 2591/4885CD274 4010/4885PNMT 1050/4885 |
| US-20150087829-A1 | PROCESS AND INTERMEDIATES FOR PREPARING GPR40 AGONISTS | GPR4, GPR3, GPR55 | PDCD1 4424/4885CD274 2872/4885PNMT 2781/4885 |
| US-20200354379-A1 | NOVEL, HIGHLY ACTIVE AMINO-THIAZOLE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) | HCCS, CDK2, BRD4 | PDCD1 932/4885CD274 2298/4885PNMT 1671/4885 |
| US-11267825-B2 | Highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV) | HCCS, BRD4, IDO2 | PDCD1 617/4885CD274 1458/4885PNMT 1593/4885 |
| US-20170210751-A1 | PRMT5 INHIBITORS AND USES THEREOF | PRMT5, PRMT1, PRMT6 | PDCD1 2388/4885CD274 3847/4885PNMT 523/4885 |
“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.