Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Glutaconate. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.50 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PAM | P19021 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Glutaconate SCHEMBL8088023 | 1.00 | ALDH1A1 (0.61) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL8088027 | 1.00 | ALDH1A1 (0.61) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL21841 | 0.97 | — | — | |
| Glutaconate SCHEMBL12230 | 0.97 | — | — | |
| Glutaconate SCHEMBL2514167 | 0.97 | ALDH1A1 (0.65) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL688877 | 0.97 | — | — | |
| Glutaconate SCHEMBL29669788 | 0.94 | ALDH1A1 (0.61) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL31299615 | 0.94 | ALDH1A1 (0.61) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL27895968 | 0.94 | ALDH1A1 (0.61) | ALDH1A1CYP2D6ALOX15TSHRTP53 | |
| Glutaconate SCHEMBL1655132 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CYP2D6ALOX15TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0774279-B1 | Water additive and method for fire prevention and fire extinguishing | STOCKHAUSEN INC (US) | 2000-01-12 | — | — | EP | disclosed |
| EP-0774279-A1 | Water additive and method for fire prevention and fire extinguishing | Stockhausen, Inc. (US) | 1997-05-21 | — | — | EP | disclosed |