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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
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 SCHEMBL7874541 | 1.00 | CES2 (0.50) | CES2CES1CA2CA4NAAA | |
| Butyltriphenylphosphonium SCHEMBL7871063 | 0.94 | CA2 (0.50) | CES2CES1CA2CA4NAAA | |
| Bicarbonate SCHEMBL8438216 | 0.91 | ALDH1A1 (0.50) | CES2CES1CA2NAAAALDH1A1 | |
| Acetic Acid SCHEMBL7871075 | 0.89 | ALDH1A1 (0.49) | CES2CES1CA2NAAAALDH1A1 | |
| Acetic Acid SCHEMBL3786910 | 0.89 | ALDH1A1 (0.49) | CES2CES1CA2NAAAALDH1A1 | |
| Acetic Acid SCHEMBL10949251 | 0.89 | ALDH1A1 (0.49) | CES2CES1CA2NAAAALDH1A1 | |
| Benzoic Acid SCHEMBL7871245 | 0.88 | CES2 (0.50) | CES2CES1CA2CA4NAAA | |
| Benzoic Acid SCHEMBL7874586 | 0.87 | CA2 (0.53) | CES2CES1CA2CA4ALDH1A1 | |
| Benzoic Acid SCHEMBL18684847 | 0.86 | CES2 (0.54) | CES2CES1CA2CA4NAAA | |
| Benzoic Acid SCHEMBL8725785 | 0.86 | CES2 (0.54) | CES2CES1CA2CA4NAAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |