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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28451373 | 0.85 | TSHR (0.50) | CYP19A1CYP1A1KDM4AKDM5CKDM4C | |
| Benzoic Acid SCHEMBL28455705 | 0.83 | TSHR (0.48) | CYP19A1CYP1A1KDM4AKDM5CKDM4C | |
| Benzoic Acid SCHEMBL7116782 | 0.74 | CA2 (0.90) | CA2CA4POLBCYP3A4PARP1 | |
| Benzoic Acid SCHEMBL673564 | 0.74 | CA2 (0.89) | CA2CA4POLBCYP3A4PARP1 | |
| Benzoic Acid SCHEMBL164781 | 0.74 | CA2 (0.89) | CA2CA4POLBCYP3A4PARP1 | |
| Benzoic Acid SCHEMBL114426 | 0.74 | CA2 (0.89) | CA2CA4POLBCYP3A4PARP1 | |
| Benzoic Acid SCHEMBL11441689 | 0.72 | CA2 (0.84) | CA2CA4P4HTMPOLBCYP3A4 | |
| Benzoic Acid SCHEMBL6575002 | 0.72 | CA2 (0.84) | CA2CA4P4HTMPOLBCYP3A4 | |
| Benzoic Acid SCHEMBL10732097 | 0.72 | CA2 (0.84) | CA2CA4P4HTMPOLBCYP3A4 | |
| Benzoic Acid SCHEMBL10340353 | 0.72 | CA2 (0.84) | CA2CA4P4HTMPOLBCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111621026-A | Preparation method of bifunctional cobalt complex material and electrochemical performance application thereof | 南京农业大学 | 2020-09-04 | — | — | CN | claimed |
| CN-111621026-A | Preparation method of bifunctional cobalt complex material and electrochemical performance application thereof | 南京农业大学 | 2020-09-04 | — | — | CN | disclosed |