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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | EGLN3 | Q9H6Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29497518 | 0.89 | CA4 (0.46) | CA4BBOX1 | |
| SCHEMBL30160923 | 0.89 | CA4 (0.46) | CA4BBOX1 | |
| Hydrochloric Acid SCHEMBL30446529 | 0.88 | CA4 (0.45) | CA4 | |
| Hydrochloric Acid SCHEMBL31574660 | 0.88 | CA4 (0.45) | CA4 | |
| SCHEMBL29540929 | 0.87 | CA4 (0.38) | CA4BBOX1TSHRTP53EGLN1 | |
| Pyruvate SCHEMBL29497569 | 0.86 | CA4 (0.41) | CA4 | |
| Cadaverine Tartrate SCHEMBL29949245 | 0.82 | CA4 (0.37) | CA4TSHR | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL30300556 | 0.78 | SLC22A16 (0.35) | CA4BBOX1 | |
| Aspartic Acid SCHEMBL30218656 | 0.76 | GRIK1 (0.35) | CA4 | |
| SCHEMBL31151841 | 0.75 | CA4 (0.39) | CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230181511-A1 | METHODS OF TREATING SJÖGRENS SYNDROME | VANDERBILT UNIVERSITY | 2023-06-15 | — | — | 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 (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-20230181511-A1 | METHODS OF TREATING SJÖGRENS SYNDROME | SSB, SGMS1, SGMS2 | CA4 350/4885BBOX1 1410/4885TSHR 1008/4885 |
“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.