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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.44 |
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | SLC13A5 | Q86YT5 | 4/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28177697 | 0.86 | HCRTR1 (0.54) | KDM4ELMNAMEN1KMT2AHCRTR1 | |
| Acetic Acid SCHEMBL27831573 | 0.85 | HCRTR1 (0.50) | KDM4ELMNAMEN1KMT2AHCRTR1 | |
| Hydrochloric Acid SCHEMBL28177624 | 0.85 | HCRTR1 (0.53) | KDM4ELMNAMEN1KMT2AHCRTR1 | |
| Citric Acid SCHEMBL28791457 | 0.76 | MAPK1 (0.41) | KDM4ELMNAMEN1KMT2ACYP1A2 | |
| Citric Acid SCHEMBL2469293 | 0.74 | KDM4E (0.58) | KDM4ELMNAMEN1KMT2ACYP1A2 | |
| Citric Acid SCHEMBL3807378 | 0.74 | KDM4E (0.60) | KDM4ELMNAMEN1KMT2ACYP1A2 | |
| Diethyl Phthalate SCHEMBL321970 | 0.74 | TSHR (0.66) | KDM4ELMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL3680326 | 0.73 | TSHR (0.42) | KDM4ELMNACYP1A2HCRTR1L3MBTL1 | |
| SCHEMBL11465524 | 0.71 | HSD17B10 (0.58) | KDM4ELMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL29056993 | 0.70 | HCRTR1 (0.46) | LMNAMEN1KMT2AHCRTR1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108191846-A | High-penetration composition and its application | 于崇曦 | 2018-06-22 | — | — | CN | disclosed |
| CN-107320732-A | High-penetration composition and its application | 于崇曦 | 2017-11-07 | — | — | CN | disclosed |
| CN-107261149-A | High-penetration composition and its application | 于崇曦 | 2017-10-20 | — | — | CN | disclosed |