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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.38 |
| ▸ | REN known ✓ | P00797 | 6/20 | 0.37 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 5/20 | 0.48 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL11094337 | 1.00 | AKT1 (0.48) | AKT1P2RY1NOTUMADRB1REN | |
| Fumaric Acid SCHEMBL11083528 | 0.85 | P2RY1 (0.47) | AKT1P2RY1NOTUMNPY5R | |
| Maleic Acid SCHEMBL11083525 | 0.85 | P2RY1 (0.47) | AKT1P2RY1NOTUMNPY5R | |
| Maleic Acid SCHEMBL11095653 | 0.81 | P2RY1 (0.45) | AKT1P2RY1NOTUMROCK2ROCK1 | |
| Fumaric Acid SCHEMBL11095659 | 0.81 | P2RY1 (0.45) | AKT1P2RY1NOTUMROCK2ROCK1 | |
| Fumaric Acid SCHEMBL11094374 | 0.79 | P2RY1 (0.40) | AKT1P2RY1 | |
| Maleic Acid SCHEMBL11094370 | 0.79 | P2RY1 (0.40) | AKT1P2RY1 | |
| Fumaric Acid SCHEMBL11093052 | 0.76 | MAPT (0.41) | AKT1P2RY1 | |
| Maleic Acid SCHEMBL11093046 | 0.76 | MAPT (0.41) | AKT1P2RY1 | |
| Maleic Acid SCHEMBL11096220 | 0.76 | MAPT (0.44) | P2RY1NOTUMNPY5RSLC6A3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4477667-A | Spiro[indoline-3,4'-piperidine]s and related compounds | AMERICAN HOECHST CORPORATION (US) | 1984-10-16 | — | — | US | disclosed |
| US-4408050-A | Spiro(indoline-3,4'-piperidine) and related compounds | AMERICAN HOECHST CORPORATION (US) | 1983-10-04 | — | — | US | disclosed |
| US-4379932-A | Process for preparing spiro[indoline-3,4'-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1983-04-12 | — | — | US | disclosed |
| US-4379933-A | Process for preparing spiro[indoline-3,4'-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1983-04-12 | — | — | US | disclosed |
| US-4345081-A | Spiro[indoline-3,4'-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1982-08-17 | — | — | US | disclosed |
| US-4307235-A | Spiro[indoline-3,4'-piperidine]s | AMERICAN HOECHST CORPORATION (US) | 1981-12-22 | — | — | US | disclosed |