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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 9/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.35 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL864090 | 0.78 | PCSK9 (0.30) | — | |
| Benzoic Acid SCHEMBL7764732 | 0.77 | CA2 (0.55) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL20570059 | 0.77 | CA2 (0.89) | CA2CA4CA1USP2CES2 | |
| Phenol SCHEMBL5909696 | 0.77 | — | — | |
| Benzoic Acid SCHEMBL7937010 | 0.76 | CA2 (0.53) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL7939593 | 0.76 | CA2 (0.53) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL7764740 | 0.75 | CA2 (0.52) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL9279060 | 0.74 | CA2 (0.94) | CA2CA4CA1CES2CES1 | |
| Benzoic Acid SCHEMBL29856158 | 0.74 | CA2 (0.84) | CA2CA4CA1USP2CES2 | |
| Benzoic Acid SCHEMBL17102796 | 0.74 | CA2 (0.84) | CA2CA4CA1USP2CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281320-B1 | POLYOLEFIN CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-08-28 | — | — | US | disclosed |
| EP-0776908-B1 | Catalyst composition having improved comonomer reactivity | UNIVATION TECH LLC (US) | 2001-07-11 | — | — | EP | disclosed |
| US-6028151-A | Catalyst composition having improved comonomer reactivity | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-02-22 | — | — | US | disclosed |
| US-5756416-A | COORDINATION CATALYST FOR OLEFIN POLYMERIZATION | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0776908-A1 | Catalyst composition having improved comonomer reactivity | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-06-04 | — | — | EP | disclosed |