Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Malonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FABP3 | P05413 | 3/20 | 0.41 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.40 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL28875696 | 1.00 | CA1 (0.50) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315712 | 1.00 | CA1 (0.50) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28314392 | 1.00 | CA1 (0.50) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315674 | 1.00 | CA1 (0.50) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315685 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315613 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315738 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315882 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28314477 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 | |
| Malonic Acid SCHEMBL28315562 | 0.96 | CA1 (0.53) | CA1GPR84CA2NFKB1ACE2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110172019-A | The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic | 印度石油有限公司 | 2019-08-27 | — | — | CN | claimed |
| CN-110172019-A | The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic | 印度石油有限公司 | 2019-08-27 | — | — | CN | disclosed |