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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | INMT | O95050 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
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 SCHEMBL8719213 | 1.00 | BLM (0.41) | BLMNPC1RAB9AOPRD1TSHR | |
| Acetic Acid SCHEMBL10899394 | 0.85 | NPC1 (0.41) | NPC1RAB9AOPRD1TSHRKDM4E | |
| Acetic Acid SCHEMBL10900435 | 0.83 | OPRD1 (0.42) | NPC1RAB9AOPRD1TSHRKDM4E | |
| SCHEMBL1489209 | 0.82 | — | — | |
| SCHEMBL88222 | 0.82 | — | — | |
| Urea SCHEMBL1286778 | 0.81 | L3MBTL1 (0.47) | NPC1RAB9AOPRD1TSHRHRH3 | |
| SCHEMBL1081392 | 0.79 | HRH3 (0.39) | OPRD1HRH3HRH1KDM4EALDH1A1 | |
| SCHEMBL87801 | 0.79 | — | — | |
| SCHEMBL486492 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5143111 | 0.79 | — | — |
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-5767120-A | ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; TREATMENT FOR SEPTIC SHOCK | SCHERING CORPORATION (US) | 1998-06-16 | — | — | US | disclosed |
| US-5538986-A | INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA, DIBENZOCYCLOHEPTANE AND DIBENZOXEPINE DERIVATIVES | SCHERING CORPORATION (US) | 1996-07-23 | — | — | US | disclosed |