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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | ADH5 | P11766 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM5C | P41229 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
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 | 0.98 | TSHR (0.50) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28452267 | 0.83 | CA2 (0.50) | TSHRCYP19A1CYP1A1KDM4AKDM5C | |
| Benzoic Acid SCHEMBL14918610 | 0.75 | TSHR (0.52) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL28247425 | 0.72 | TSHR (0.82) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL114427 | 0.72 | TSHR (0.93) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL8611265 | 0.71 | NAPRT (0.70) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL31376992 | 0.70 | TSHR (0.78) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL11599602 | 0.70 | TSHR (0.88) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL3044510 | 0.70 | TSHR (0.88) | TSHRNAPRTDAOCES2CES1 | |
| Benzoic Acid SCHEMBL6869498 | 0.70 | TSHR (0.88) | TSHRNAPRTDAOCES2CES1 |
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 1 patent. 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 |