Known targets — ChEMBL curated mechanism
ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2
The experimentally established mechanism targets of Citric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.74 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890661 | 0.86 | HDAC6 (1.00) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| SCHEMBL14882066 | 0.77 | HDAC6 (0.81) | HDAC6HDAC3HDAC1MAOB | |
| SCHEMBL14882065 | 0.77 | HDAC6 (0.81) | HDAC6HDAC3HDAC1MAOB | |
| SCHEMBL4522260 | 0.76 | HSD17B10 (0.76) | HDAC6CYP1A2HSD17B10TRPV1GABRA1 | |
| SCHEMBL11469118 | 0.75 | HDAC6 (0.78) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| SCHEMBL7040103 | 0.75 | HDAC6 (0.78) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| SCHEMBL14200691 | 0.75 | HDAC6 (0.78) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| SCHEMBL11469117 | 0.75 | HDAC6 (0.78) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| SCHEMBL11437675 | 0.75 | HDAC6 (0.78) | HDAC6HDAC3HDAC1CYP1A2HSD17B10 | |
| Piperic Acid SCHEMBL11460093 | 0.75 | HSD17B10 (1.00) | HDAC6CYP1A2HSD17B10TRPV1GABRA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115715777-A | Application of natural decalin pyridone alkaloid in preparation of anti-tumor metastasis drugs | 中国药科大学 | 2023-02-28 | — | — | CN | disclosed |