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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 11/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4254330 | 0.96 | SLC6A9 (0.81) | SLC6A9CYP3A4KCNH2MTNR1AMTNR1B | |
| Fumaric Acid SCHEMBL1862547 | 0.90 | SLC6A9 (0.75) | SLC6A9CYP3A4KCNH2MTNR1AMTNR1B | |
| Fumaric Acid SCHEMBL1859140 | 0.89 | SLC6A9 (0.75) | SLC6A9CYP3A4KCNH2MTNR1AMTNR1B | |
| Fumaric Acid SCHEMBL1862269 | 0.89 | SLC6A9 (0.75) | SLC6A9CYP3A4KCNH2KDM4EPOLB | |
| Fumaric Acid SCHEMBL1865410 | 0.88 | SLC6A9 (0.77) | SLC6A9CYP3A4KCNH2MTNR1AMTNR1B | |
| Fumaric Acid SCHEMBL1859760 | 0.87 | SLC6A9 (0.73) | SLC6A9CYP3A4KCNH2KDM4EPOLB | |
| Fumaric Acid SCHEMBL1864849 | 0.87 | SLC6A9 (0.73) | SLC6A9CYP3A4KCNH2KDM4EPOLB | |
| Fumaric Acid SCHEMBL1858173 | 0.87 | SLC6A9 (0.71) | SLC6A9CYP3A4KCNH2KDM4E | |
| Fumaric Acid SCHEMBL988925 | 0.87 | SLC6A9 (0.73) | SLC6A9CYP3A4KCNH2KDM4EPOLB | |
| Fumaric Acid SCHEMBL991425 | 0.87 | SLC6A9 (0.73) | SLC6A9CYP3A4KCNH2KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-8957089-B2 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-02-17 | — | — | US | disclosed |
| US-20130203749-A1 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. (US) | 2013-08-08 | — | — | US | disclosed |
| US-20110105502-A1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott BmbH & Co. KG (DE) | 2011-05-05 | — | — | US | disclosed |
| EP-2271625-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2011-01-12 | — | — | EP | 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 (2 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-20110105502-A1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | GOLT1B, SLC10A1, SUGT1 | KCNH2 959/4885SLC6A9 73/4885CYP3A4 328/4885 |
| US-20130203749-A1 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | GOLT1B, SLC10A1, SUGT1 | KCNH2 959/4885SLC6A9 73/4885CYP3A4 328/4885 |
“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.