Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.40 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL17495601 | 0.93 | NAPRT (0.54) | NAPRTDAOTSHRALDH1A1APP | |
| Terephthalic Acid SCHEMBL27990724 | 0.86 | TSHR (0.50) | NAPRTDAOTSHRALDH1A1HCAR2 | |
| Niacin SCHEMBL30516116 | 0.85 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Niacin SCHEMBL28944221 | 0.85 | ALDH1A1 (0.68) | ALDH1A1APPGAAHCAR3HCAR2 | |
| Terephthalic Acid SCHEMBL28067237 | 0.85 | TSHR (0.45) | NAPRTDAOTSHRALDH1A1APP | |
| Terephthalic Acid SCHEMBL28005997 | 0.84 | TSHR (0.48) | NAPRTDAOTSHRALDH1A1HCAR2 | |
| Terephthalic Acid SCHEMBL28044877 | 0.84 | TSHR (0.48) | NAPRTDAOTSHRALDH1A1HCAR2 | |
| Terephthalic Acid SCHEMBL28013542 | 0.84 | TSHR (0.48) | NAPRTDAOTSHRALDH1A1HCAR2 | |
| Terephthalic Acid SCHEMBL28065968 | 0.84 | TSHR (0.48) | NAPRTDAOTSHRALDH1A1HCAR2 | |
| Terephthalic Acid SCHEMBL27990425 | 0.83 | TSHR (0.42) | NAPRTDAOTSHRALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2086973-B1 | IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF | AMGEN INC (US) | 2012-01-25 | — | — | EP | disclosed |
| US-7700593-B2 | Imidazo- and triazolo-pyridine compounds and methods of use thereof | AMGEN INC. (US) | 2010-04-20 | — | — | US | disclosed |
| US-20080161303-A1 | Imidazo- and triazolo-pyridine compounds and methods of use thereof | AMGEN INC. (US) | 2008-07-03 | — | — | US | 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-20080161303-A1 | Imidazo- and triazolo-pyridine compounds and methods of use thereof | MAPK1, MAP3K1, MAP3K7 | NAPRT 1684/4885DAO 1365/4885TSHR 1141/4885 |
“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.