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 | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 7/20 | 0.49 |
| ▸ | MMP1 | P03956 | 6/20 | 0.49 |
| ▸ | MMP8 | P22894 | 2/20 | 0.49 |
| ▸ | MMP9 | P14780 | 7/20 | 0.45 |
| ▸ | MMP2 | P08253 | 5/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 3/20 | 0.42 |
| ▸ | MMP7 | P09237 | 3/20 | 0.42 |
| ▸ | ELOVL6 | Q9H5J4 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
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 SCHEMBL10795470 | 1.00 | MMP13 (0.49) | MMP13MMP1MMP8MMP9MMP2 | |
| SCHEMBL10800122 | 0.90 | MMP13 (0.58) | MMP13MMP1MMP8MMP9MMP2 | |
| Maleic Acid SCHEMBL10799968 | 0.86 | ALDH1A1 (0.39) | THRBELOVL6HTTALDH1A1TP53 | |
| Fumaric Acid SCHEMBL10799981 | 0.86 | ALDH1A1 (0.39) | THRBELOVL6HTTALDH1A1TP53 | |
| Fumaric Acid SCHEMBL11022713 | 0.85 | KMT2A (0.43) | HTR6CXCR2 | |
| Maleic Acid SCHEMBL11022706 | 0.85 | KMT2A (0.43) | HTR6CXCR2 | |
| Maleic Acid SCHEMBL10794615 | 0.84 | CXCR2 (0.39) | KDM4EALDH1A1MAPTCXCR2 | |
| Fumaric Acid SCHEMBL10794301 | 0.84 | CXCR2 (0.41) | CXCR2 | |
| Fumaric Acid SCHEMBL10794312 | 0.84 | CXCR2 (0.41) | CXCR2 | |
| Fumaric Acid SCHEMBL10794631 | 0.84 | CXCR2 (0.39) | KDM4EALDH1A1MAPTCXCR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4642348-A | ANTIARRHYTHMIA AGENTS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1987-02-10 | — | — | US | disclosed |
| US-4593102-A | N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position | A. H. ROBINS COMPANY, INC. (US) | 1986-06-03 | — | — | US | disclosed |
| EP-0160436-A2 | N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-11-06 | — | — | EP | disclosed |