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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | ANPEP | P15144 | 2/20 | 0.46 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL5085203 | 1.00 | DAO (0.48) | DAOTSHRNAPRTANPEPENPEP | |
| Benzoyl Formic Acid SCHEMBL16045311 | 0.92 | CES2 (0.44) | DAOTSHRNAPRTANPEPENPEP | |
| Benzoic Acid SCHEMBL29415228 | 0.90 | ANPEP (0.39) | DAOTSHRNAPRTANPEPENPEP | |
| Benzoic Acid SCHEMBL16046925 | 0.89 | GRM4 (0.41) | DAOTSHRNAPRTANPEPENPEP | |
| Benzoic Acid SCHEMBL16047767 | 0.89 | TSHR (0.43) | DAOTSHRNAPRTANPEPENPEP | |
| Benzoic Acid SCHEMBL28684599 | 0.87 | SRD5A2 (0.40) | DAOTSHRNAPRTANPEPENPEP | |
| SCHEMBL5043328 | 0.87 | KDM4E (0.56) | SLC6A2SLC6A4SLC6A3LMNAADRA2A | |
| SCHEMBL15916220 | 0.87 | KDM4E (0.56) | SLC6A2SLC6A4SLC6A3LMNAADRA2A | |
| SCHEMBL2065907 | 0.87 | KDM4E (0.56) | SLC6A2SLC6A4SLC6A3LMNAADRA2A | |
| SCHEMBL147622 | 0.87 | KDM4E (0.56) | SLC6A2SLC6A4SLC6A3LMNAADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1478617-A4 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL (CN) | 2006-04-19 | — | — | EP | disclosed |
| US-20050096389-A1 | Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof | CHINA PETROLEUM & CHEMICAL (CN) | 2005-05-05 | — | — | US | disclosed |
| EP-1478617-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | China Petroleum & Chemical Corporation (CN) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003068723-A1 | POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2003-08-21 | — | — | 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-20050096389-A1 | Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof | CBR3, CBR1, OXER1 | DAO 1971/4885TSHR 921/4885NAPRT 1682/4885 |
“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.