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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 9/20 | 0.36 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.34 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 10/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.35 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2838001 | 0.87 | KDM4E (0.38) | KDM4EALDH1A1CCR3HRH1SIGMAR1 | |
| SCHEMBL2839442 | 0.78 | SLC6A4 (0.38) | KDM4EALDH1A1KCNH2MEN1KMT2A | |
| Citric Acid SCHEMBL2840328 | 0.78 | CHRM3 (0.36) | KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL2837917 | 0.77 | SLC6A4 (0.37) | KDM4EALDH1A1KCNH2MEN1KMT2A | |
| SCHEMBL2836692 | 0.72 | ROCK2 (0.34) | ALDH1A1 | |
| SCHEMBL2837126 | 0.72 | HRH3 (0.39) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL2836717 | 0.71 | SLC6A2 (0.35) | KDM4EALDH1A1CCR3HRH1KCNH2 | |
| SCHEMBL2836555 | 0.70 | KDM4E (0.38) | KDM4EALDH1A1CCR3HRH1KCNH2 | |
| SCHEMBL2841183 | 0.70 | HTR2A (0.40) | KDM4EALDH1A1SLC6A5 | |
| SCHEMBL2841728 | 0.66 | KDM4E (0.40) | KDM4EALDH1A1CCR3HRH1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100048537-A1 | HETEROARYL DERIVATIVES | OPRD1, OPRM1, OPRK1 | HRH1 550/4885MEN1 3895/4885SIGMAR1 25/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.