Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.62 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
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 SCHEMBL7671360 | 1.00 | HTR2C (0.62) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| SCHEMBL4680302 | 0.93 | HTR2C (0.67) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| SCHEMBL4680300 | 0.93 | HTR2C (0.67) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| SCHEMBL4681660 | 0.93 | HTR2C (0.67) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL4682488 | 0.92 | HTR2C (0.65) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL4682494 | 0.92 | HTR2C (0.65) | HTR2CALDH1A1ALKBH1LMNAPOLB | |
| Fumaric Acid SCHEMBL4682023 | 0.89 | HTR2C (0.61) | HTR2CALDH1A1ALKBH1CACNA1GCACNA1H | |
| Fumaric Acid SCHEMBL4682019 | 0.89 | HTR2C (0.61) | HTR2CALDH1A1ALKBH1CACNA1GCACNA1H | |
| Fumaric Acid SCHEMBL4682016 | 0.89 | HTR2C (0.61) | HTR2CALDH1A1ALKBH1CACNA1GCACNA1H | |
| Fumaric Acid SCHEMBL4678139 | 0.86 | HTR2C (0.44) | HTR2CALDH1A1ALKBH1LMNAPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343775-B1 | PIPERAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-04 | — | — | EP | disclosed |
| US-20040235859-A1 | Novel piperazine derivatives | ADAMS DAVID REGINALD (GB) | 2004-11-25 | — | — | US | disclosed |
| EP-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | 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-20040235859-A1 | Novel piperazine derivatives | CYP4B1, UGT1A1, CYP1B1 | HTR2C 289/4885HTR2A 443/4885ALDH1A1 4/4885 |
“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.