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 | 5/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.65 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7589685 | 0.87 | TDP1 (0.86) | TSHRHSD17B10ALDH1A1TDP1CES2 | |
| Benzoic Acid SCHEMBL1299820 | 0.86 | TSHR (0.64) | TSHRHSD17B10ALDH1A1TDP1NAPRT | |
| Benzoic Acid SCHEMBL27295243 | 0.86 | TSHR (0.64) | TSHRHSD17B10ALDH1A1TDP1NAPRT | |
| Benzoic Acid SCHEMBL2494208 | 0.85 | TSHR (0.89) | TSHRHSD17B10ALDH1A1TDP1NAPRT | |
| SCHEMBL6890926 | 0.84 | TSHR (0.69) | TSHRHSD17B10ALDH1A1TDP1CES2 | |
| Benzene SCHEMBL21084039 | 0.84 | ALDH1A1 (0.54) | TSHRHSD17B10ALDH1A1TDP1NAPRT | |
| SCHEMBL9422161 | 0.80 | TSHR (0.77) | TSHRHSD17B10ALDH1A1TDP1CES2 | |
| SCHEMBL28268640 | 0.80 | TDP1 (0.77) | TSHRHSD17B10ALDH1A1TDP1CES2 | |
| Hydrogen Peroxide SCHEMBL6657321 | 0.79 | ALDH1A1 (0.46) | TSHRHSD17B10ALDH1A1TDP1GAA | |
| Acetic Acid SCHEMBL28044564 | 0.79 | TDP1 (0.92) | TSHRHSD17B10ALDH1A1TDP1CES2 |
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-117625273-A | Phosphonate amine salt friction improver and preparation method thereof | 中国石油天然气股份有限公司 | 2024-03-01 | — | — | CN | disclosed |