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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.51 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.51 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.51 |
| ▸ | KMT2A known ✓ | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4433592 | 0.94 | CYP1A2 (0.56) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL28427209 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1428194 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1629068 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL26233 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL41823 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL8093958 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1588402 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL30597567 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL6828541 | 0.78 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1748994-B1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NICOX SA (FR) | 2009-02-18 | — | — | EP | claimed |
| US-20070060586-A1 | Nitrooxyderivatives of antihypertensive drugs | NICOX S.A. (FR) | 2007-03-15 | — | — | US | claimed |
| EP-1748994-A1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NicOx S.A. (FR) | 2007-02-07 | — | — | EP | claimed |
| WO-2005054218-A1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NICOX S.A. (FR) | 2005-06-16 | — | — | WO | claimed |
| EP-1748994-B1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NICOX SA (FR) | 2009-02-18 | — | — | EP | disclosed |
| US-20070060586-A1 | Nitrooxyderivatives of antihypertensive drugs | NICOX S.A. (FR) | 2007-03-15 | — | — | US | disclosed |
| EP-1748994-A1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NicOx S.A. (FR) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005054218-A1 | NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS | NICOX S.A. (FR) | 2005-06-16 | — | — | 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 (1 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-20070060586-A1 | Nitrooxyderivatives of antihypertensive drugs | ADRB2, ADRB1, ADRA2B | ADRB2 1/4885ADRB1 2/4885HTR1A 251/4885 |
“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.