Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 19/20 | 0.89 |
| ▸ | ADRB1 known ✓ | P08588 | 18/20 | 0.89 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.77 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.77 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.77 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.77 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.77 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.77 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.77 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.77 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.77 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.77 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL561508 | 1.00 | ADRB2 (0.89) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Maleic Acid SCHEMBL560660 | 1.00 | ADRB2 (0.89) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| SCHEMBL29737207 | 0.94 | ADRB2 (1.00) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| SCHEMBL153077 | 0.94 | ADRB2 (1.00) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| SCHEMBL560927 | 0.94 | ADRB2 (1.00) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL561414 | 0.94 | ADRB2 (0.98) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Hydrochloric Acid SCHEMBL153900 | 0.94 | ADRB2 (0.98) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Olodaterol SCHEMBL560886 | 0.93 | ADRB2 (0.89) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Olodaterol SCHEMBL561364 | 0.93 | ADRB2 (0.89) | ADRB2ADRB1CHRM2HTR1AADRA2A | |
| Olodaterol SCHEMBL4219120 | 0.93 | ADRB2 (0.89) | ADRB2ADRB1CHRM2HTR1AADRA2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1809236-B1 | INHALATION POWDER FORMULATIONS CONTAINING ENANTIOMERICALLY PURE BETA-AGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2012-12-26 | — | — | EP | disclosed |
| US-20120034275-A1 | POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-09 | — | — | US | disclosed |
| US-8034809-B2 | Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-11 | — | — | US | disclosed |
| US-20090137578-A1 | ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | US | disclosed |
| US-7491719-B2 | Enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-02-17 | — | — | US | disclosed |
| US-7220742-B2 | Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-22 | — | — | US | disclosed |
| US-20070027148-A1 | New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments | LUSTENBERGER PHILIPP | 2007-02-01 | — | — | US | disclosed |
| US-20050267106-A1 | New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-12-01 | — | — | US | disclosed |
| US-20050255050-A1 | Powder formulations for inhalation, comprising enantiomerically pure beta agonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-17 | — | — | 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-20050267106-A1 | New enentiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments | ADRB1, ADRB2, ADRA1D | ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885 |
| US-20090137578-A1 | ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS | ADRB1, ADRB2, ADRA1D | ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885 |
| US-20070027148-A1 | New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments | ADRB1, ADRB2, ADRA1D | ADRB2 2/4885ADRB1 1/4885CHRM2 13/4885 |
| US-20120034275-A1 | POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS | ADRB1, ADRB2, ADRB3 | ADRB2 2/4885ADRB1 1/4885CHRM2 11/4885 |
| US-20050255050-A1 | Powder formulations for inhalation, comprising enantiomerically pure beta agonists | ADRB1, ADRB2, ADRB3 | ADRB2 2/4885ADRB1 1/4885CHRM2 11/4885 |
“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.