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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 18/20 | 0.67 |
| ▸ | CTSL | P07711 | 18/20 | 0.67 |
| ▸ | CTSS | P25774 | 16/20 | 0.67 |
| ▸ | CTSK | P43235 | 4/20 | 0.67 |
| ▸ | CTSD | P07339 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL4577125 | 0.95 | CTSB (0.73) | CTSBCTSLCTSSCTSKCTSD | |
| Balicatib SCHEMBL5565100 | 0.86 | CTSB (0.90) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL3912181 | 0.86 | CTSB (0.74) | CTSBCTSLCTSSCTSKCTSD | |
| Maleic Acid SCHEMBL4576156 | 0.86 | CTSB (0.48) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL4576438 | 0.86 | CTSB (0.71) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL6053502 | 0.82 | CTSB (0.56) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL4576583 | 0.81 | CTSB (0.61) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL4576013 | 0.81 | CTSB (0.61) | CTSBCTSLCTSSCTSKCTSD | |
| Balicatib SCHEMBL1587772 | 0.80 | CTSB (1.00) | CTSBCTSLCTSSCTSKCTSD | |
| SCHEMBL4576161 | 0.80 | CTSB (0.42) | CTSBCTSLCTSSCTSKCTSD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080219996-A1 | Molecular Markers Associated with Bone Metastasis | NOVARTIS AG (CH) | 2008-09-11 | — | — | US | disclosed |
| US-20060281714-A1 | Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss | ZIMMERMANN JOHANN | 2006-12-14 | — | — | 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 (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-20060281714-A1 | Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss | CTSK, CTSB, CTSZ | CTSB 2/4885CTSL 11/4885CTSS 7/4885 |
| US-20080219996-A1 | Molecular Markers Associated with Bone Metastasis | BST2, BSG, CD44 | CTSB 445/4885CTSL 400/4885CTSS 861/4885 |
“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.