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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 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 SCHEMBL7874749 | 0.88 | CA2 (0.64) | CA2CA4LMNAMAPTXBP1 | |
| Benzoic Acid SCHEMBL7871227 | 0.88 | CA2 (0.64) | CA2CA4LMNAMAPTXBP1 | |
| Benzoic Acid SCHEMBL1033231 | 0.87 | CA2 (0.76) | CA2CA4LMNAMAPTXBP1 | |
| Acetic Acid SCHEMBL7865550 | 0.85 | CA2 (0.41) | CA2CA4LMNAMAPTXBP1 | |
| Benzoic Acid SCHEMBL29019191 | 0.83 | CA2 (0.70) | CA2CA4LMNAMAPTXBP1 | |
| Tetraphenylphosphonium SCHEMBL1032707 | 0.83 | CA2 (0.70) | CA2CA4MAPTUSP2CES2 | |
| Benzoic Acid SCHEMBL31683009 | 0.83 | CA2 (0.70) | CA2CA4LMNAMAPTXBP1 | |
| Benzoic Acid SCHEMBL2854052 | 0.83 | CA2 (0.70) | CA2CA4LMNAMAPTXBP1 | |
| Tetraphenylphosphonium SCHEMBL7616105 | 0.82 | CA2 (0.57) | CA2CA4LMNAMAPTXBP1 | |
| Benzoic Acid SCHEMBL11789341 | 0.82 | CA2 (0.94) | CA2CA4LMNAMAPTSMN1; SMN2 |
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 |