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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY2 | P41231 | 4/20 | 0.60 |
| ▸ | PYGL | P06737 | 3/20 | 0.42 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.41 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NCS1 | P62166 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6402436 | 0.92 | P2RY2 (0.65) | P2RY2PYGLSLC5A2P2RY4AKR1B1 | |
| Benzoic Acid SCHEMBL6396725 | 0.88 | P2RY2 (0.57) | P2RY2PYGLSLC5A2P2RY4 | |
| Benzoic Acid SCHEMBL6393920 | 0.84 | P2RY2 (0.55) | P2RY2PYGLSLC5A2P2RY4 | |
| Benzoic Acid SCHEMBL6395749 | 0.79 | P2RY2 (0.57) | P2RY2PYGLSLC5A2P2RY4 | |
| SCHEMBL6395681 | 0.79 | P2RY2 (0.62) | P2RY2PYGLSLC5A2P2RY4 | |
| SCHEMBL6395433 | 0.78 | P2RY2 (0.84) | P2RY2P2RY4AKR1B1DYRK1ANCS1 | |
| Benzoic Acid SCHEMBL6397602 | 0.77 | P2RY2 (0.60) | P2RY2P2RY4 | |
| SCHEMBL7048838 | 0.76 | P2RY2 (0.60) | P2RY2PYGLSLC5A2P2RY4 | |
| SCHEMBL6395173 | 0.76 | P2RY2 (0.60) | P2RY2PYGLSLC5A2P2RY4 | |
| SCHEMBL6400050 | 0.76 | P2RY2 (0.52) | P2RY2AKR1B1DYRK1AAKR1A1AKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050009777-A1 | Non-natural carbon-linked nucleotides and dinucleotides | CELLTECH R & D LIMITED (GB) | 2005-01-13 | — | — | 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-20050009777-A1 | Non-natural carbon-linked nucleotides and dinucleotides | P2RY1, P2RY11, P2RY13 | P2RY2 4/4885PYGL 395/4885SLC5A2 45/4885 |
“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.