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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 1/20 | 0.46 |
| ▸ | LGALS9 | O00182 | 2/20 | 0.46 |
| ▸ | LGALS1 | P09382 | 2/20 | 0.46 |
| ▸ | LGALS3 | P17931 | 2/20 | 0.46 |
| ▸ | LGALS7; LGALS7B | P47929 | 2/20 | 0.46 |
| ▸ | HK1 | P19367 | 2/20 | 0.45 |
| ▸ | HK2 | P52789 | 2/20 | 0.45 |
| ▸ | IDUA | P35475 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 SCHEMBL6402163 | 0.85 | PYGL (0.43) | PYGLLGALS9LGALS1LGALS3LGALS7; LGALS7B | |
| Dextrose SCHEMBL19252827 | 0.84 | HK1 (0.53) | PYGLLGALS9LGALS1LGALS3LGALS7; LGALS7B | |
| SCHEMBL27745076 | 0.84 | EPHX1 (0.50) | LGALS9LGALS1LGALS3LGALS7; LGALS7BHK1 | |
| SCHEMBL28137386 | 0.83 | IDUA (0.60) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL9000840 | 0.83 | IDUA (0.60) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL27758954 | 0.83 | IDUA (0.60) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL27738037 | 0.83 | IDUA (0.60) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL7152160 | 0.83 | IDUA (0.60) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL12940641 | 0.81 | IDUA (0.63) | LGALS9LGALS1LGALS3IDUA | |
| SCHEMBL9524161 | 0.81 | IDUA (0.63) | LGALS9LGALS1LGALS3IDUA |
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-20050009777-A1 | Non-natural carbon-linked nucleotides and dinucleotides | CELLTECH R & D LIMITED (GB) | 2005-01-13 | — | — | US | disclosed |
| EP-1409503-A1 | NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES | Celltech R & D Limited (GB) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003011885-A1 | NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES | CELLTECH R & D LIMITED (GB) | 2003-02-13 | — | — | WO | 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 | PYGL 395/4885LGALS9 847/4885LGALS1 473/4885 |
“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.