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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 8/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9059576 | 0.91 | CHRM3 (0.44) | MAPTALDH1A1CHRM3MEN1KMT2A | |
| Fumaric Acid SCHEMBL9311361 | 0.85 | CHRM3 (0.46) | KDM4EMAPTPKMALDH1A1CHRM3 | |
| SCHEMBL9538982 | 0.84 | CHRM3 (0.47) | KDM4EALDH1A1CHRM3KMT2A | |
| SCHEMBL9059897 | 0.79 | ALDH1A1 (0.49) | KDM4EMAPTALDH1A1CHRM3MEN1 | |
| SCHEMBL9059607 | 0.77 | CHRM3 (0.47) | ALDH1A1CHRM3MEN1KMT2AATM | |
| SCHEMBL9059409 | 0.74 | CHRM3 (0.47) | KDM4EMAPTALDH1A1CHRM3KMT2A | |
| SCHEMBL9059673 | 0.74 | CHRM3 (0.49) | ALDH1A1CHRM3MEN1KMT2AATM | |
| SCHEMBL9059243 | 0.73 | ALDH1A1 (0.46) | KDM4EMAPTALDH1A1CHRM3MEN1 | |
| SCHEMBL9311426 | 0.73 | CHRM3 (0.51) | CHRM3 | |
| Fumaric Acid SCHEMBL9311008 | 0.73 | ALDH1A1 (0.60) | KDM4EMAPTPKMALDH1A1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0536151-B1 | ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | BOOTS CO PLC (GB) | 1994-09-14 | — | — | EP | disclosed |
| US-5302720-A | Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents | THE BOOTS COMPANY (GB) | 1994-04-12 | — | — | US | disclosed |
| WO-1992000273-A1 | ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | THE BOOTS COMPANY PLC (GB) | 1992-01-09 | — | — | WO | disclosed |