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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.59 |
| ▸ | CES1 | P23141 | 5/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 SCHEMBL28678293 | 0.94 | CES2 (0.61) | CES2CES1TSHRDAONAPRT | |
| Nonanoamide SCHEMBL27583769 | 0.93 | CES2 (0.62) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL30453578 | 0.90 | TSHR (0.56) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL5787758 | 0.86 | CES2 (0.61) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL6573567 | 0.86 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL27413851 | 0.86 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL9594281 | 0.86 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL9157936 | 0.86 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL28845500 | 0.86 | TSHR (0.67) | CES2CES1TSHRDAONAPRT | |
| Benzoic Acid SCHEMBL28961676 | 0.85 | CES2 (0.59) | CES2CES1TSHRDAONAPRT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10092537-B2 | Use for PAI-1 inhibitor | RENASCIENCE CO., LTD. (JP) | 2018-10-09 | — | — | US | disclosed |
| US-20160158188-A1 | NOVEL USE FOR PAI-1 INHIBITOR | RENASCIENCE CO., LTD. (JP) | 2016-06-09 | — | — | 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 (2 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-20160158188-A1 | NOVEL USE FOR PAI-1 INHIBITOR | SERPINE1, SERPINC1, SERPINB1 | CES2 3394/4885CES1 582/4885TSHR 3711/4885 |
| US-10092537-B2 | Use for PAI-1 inhibitor | SERPINE1, SERPINC1, SERPINB1 | CES2 3150/4885CES1 530/4885TSHR 3756/4885 |
“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.