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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.62 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7602749 | 1.00 | KMT2A (0.62) | KMT2AALDH1A1MEN1KDM4ERAB9A | |
| SCHEMBL1694984 | 0.92 | RAB9A (0.62) | KMT2AALDH1A1MEN1RAB9ACNR1 | |
| Hydrochloric Acid SCHEMBL7603529 | 0.91 | RAB9A (0.61) | KMT2AALDH1A1MEN1RAB9ACNR1 | |
| Betahistine SCHEMBL9319520 | 0.85 | HRH3 (0.73) | KMT2AALDH1A1MEN1KDM4ERAB9A | |
| Betahistine SCHEMBL2589993 | 0.85 | HRH3 (0.73) | KMT2AALDH1A1MEN1KDM4ERAB9A | |
| SCHEMBL7601765 | 0.85 | LMNA (0.70) | ALDH1A1KDM4ERAB9ACNR1HSD11B1 | |
| Betahistine SCHEMBL2593936 | 0.85 | HRH3 (0.73) | KMT2AALDH1A1MEN1KDM4ERAB9A | |
| SCHEMBL2843465 | 0.83 | SMN1; SMN2 (0.58) | ALDH1A1RAB9ACNR1NPC1TDP1 | |
| SCHEMBL2840152 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1RAB9ACNR1NPC1HSD11B1 | |
| SCHEMBL2846951 | 0.80 | SMN1; SMN2 (0.55) | RAB9ACNR1NPC1TDP1SMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1266900-A1 | Carbamates of rapamycin | Wyeth (US) | 2002-12-18 | — | — | EP | claimed |
| EP-0593227-A1 | Carbamates of rapamycin | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-20 | — | — | EP | claimed |
| US-5302584-A | Immunosuppressants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-12 | — | — | US | claimed |
| EP-1266900-A1 | Carbamates of rapamycin | Wyeth (US) | 2002-12-18 | — | — | EP | disclosed |
| US-5411967-A | Antiinflammatory, immunosuppressant, antitumor | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-02 | — | — | US | disclosed |
| EP-0593227-A1 | Carbamates of rapamycin | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-20 | — | — | EP | disclosed |
| US-5302584-A | Immunosuppressants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-04-12 | — | — | US | disclosed |