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 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1356070 | 0.89 | TSHR (0.50) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL2365675 | 0.89 | TSHR (0.50) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Potassium Ion SCHEMBL20584478 | 0.85 | TSHR (0.50) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Potassium Ion SCHEMBL9291258 | 0.85 | TSHR (0.50) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Isophthalic Acid SCHEMBL28794421 | 0.85 | TSHR (0.52) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL27289304 | 0.79 | CA2 (0.74) | CA2CA4TSHRALDH1A1CA1 | |
| Benzoic Acid SCHEMBL27668298 | 0.79 | CA2 (0.74) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL28071483 | 0.78 | TSHR (0.76) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL27656167 | 0.78 | CA2 (0.73) | CA2CA4TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL8211633 | 0.78 | CA2 (0.59) | CA2CA4TSHRSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023110763-A1 | COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF | L'OREAL (FR) | 2023-06-22 | — | — | WO | claimed |