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 | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27563267 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL2124085 | 0.94 | CALM1 (0.45) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL25375048 | 0.75 | CALM1 (0.50) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| SCHEMBL1575804 | 0.71 | CALM1 (0.53) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL1301106 | 0.71 | PNMT (0.54) | IDO1MAOBTAAR1 | |
| Bromide SCHEMBL1444600 | 0.71 | CALM1 (0.45) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL3519090 | 0.71 | TSHR (0.48) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL25372817 | 0.70 | CES1 (0.40) | CALM1TSHRALDH1A1IDO1LOXL2 | |
| Bromide SCHEMBL27614091 | 0.69 | — | — | |
| Bromide SCHEMBL25371834 | 0.69 | CALM1 (0.43) | CALM1TSHRALDH1A1IDO1LOXL2 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108570054-A | Aminopyrimidine and five member ring heterocyclic compound, wherein mesosome, preparation method, pharmaceutical composition and application | 广州再极医药科技有限公司 | 2018-09-25 | — | — | CN | disclosed |
| EP-2137162-B1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2018-08-01 | — | — | EP | disclosed |
| US-10000456-B2 | Polycyclic compounds as lysophosphatidic acid receptor antagonists | AMIRA PHARMACEUTICALS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| EP-2483251-B1 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS INC (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-2844653-B1 | INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | BOEHRINGER INGELHEIM INT (DE) | 2016-02-17 | — | — | EP | disclosed |
| EP-2844653-A1 | INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS | Boehringer Ingelheim International GmbH (DE) | 2015-03-11 | — | — | EP | disclosed |
| US-20140256744-A1 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS INC (US) | 2014-09-11 | — | — | US | disclosed |
| US-8809376-B2 | Indanyloxydihydrobenzofuranylacetic acids | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-08-19 | — | — | US | disclosed |
| US-8778983-B2 | Polycyclic compounds as lysophosphatidic acid receptor antagonists | AMIRA PHARMACEUTICALS, INC. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8664220-B2 | Polycyclic compounds as lysophosphatidic acid receptor antagonists | AMIRA PHARMACEUTICALS, INC. (US) | 2014-03-04 | — | — | US | disclosed |
| US-20100069368-A1 | Organic Compounds and Their Uses | NOVARTIS AG (CH) | 2010-03-18 | — | — | US | disclosed |
| US-7674810-B2 | 1,1-dioxo-1H-1Λ6-benzo[d]isothiazol-3-yl)-4-hydroxy-1,5-dihydro-pyrrol-2-one inhibitors of HCV polymerase | ROCHE PALO ALTO LLC (US) | 2010-03-09 | — | — | US | disclosed |
| EP-2137162-A1 | ORGANIC COMPOUNDS AND THEIR USES | Novartis Ag (CH) | 2009-12-30 | — | — | EP | disclosed |
| CN-100491349-C | Antiviral agent | SHIONOGI & CO (JP) | 2009-05-27 | — | — | CN | disclosed |
| WO-2008110611-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2008-09-18 | — | — | WO | disclosed |
| CN-101189230-A | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (CH) | 2008-05-28 | — | — | CN | disclosed |
| EP-1879885-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2008-01-23 | — | — | EP | disclosed |
| US-20060252785-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-11-09 | — | — | US | disclosed |
| WO-2006117306-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-09 | — | — | WO | disclosed |
| CN-1558898-A | Antiviral agent | ��Ұ����ҩ��ʽ���� | 2004-12-29 | — | — | CN | 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-20140256744-A1 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | LPAR1, LPAR2, LPAR4 | CALM1 3745/4885TSHR 519/4885ALDH1A1 3990/4885 |
| US-20060252785-A1 | Heterocyclic antiviral compounds | EIF2AK2, HAVCR2, POLR2E | CALM1 4157/4885TSHR 3105/4885ALDH1A1 431/4885 |
| US-10000456-B2 | Polycyclic compounds as lysophosphatidic acid receptor antagonists | LPAR1, LPAR2, LPAR4 | CALM1 3745/4885TSHR 519/4885ALDH1A1 3990/4885 |
| US-20100069368-A1 | Organic Compounds and Their Uses | SHH, GLI1, VHL | CALM1 2468/4885TSHR 4087/4885ALDH1A1 71/4885 |
“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.