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 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL11575392 | 0.90 | ALDH1A1 (0.48) | CA2CES2CES1MEN1KMT2A | |
| Benzoic Acid SCHEMBL11514611 | 0.87 | CA2 (0.55) | CA2CA4CES2CES1NPC1 | |
| Tetraphenylphosphonium SCHEMBL1032707 | 0.86 | CA2 (0.70) | CA2CA4CES2CES1MAPT | |
| Acetic Acid SCHEMBL7060294 | 0.85 | CES2 (0.45) | CES2CES1NPC1RAB9AMEN1 | |
| Benzoic Acid SCHEMBL28256204 | 0.82 | CA2 (0.77) | CA2CA4CES2CES1NPC1 | |
| Tetraphenylphosphonium SCHEMBL21957806 | 0.82 | CA2 (0.62) | CA2CA4CES2CES1 | |
| Tetraphenylphosphonium SCHEMBL7616105 | 0.81 | CA2 (0.57) | CA2CA4CES2CES1SMN1; SMN2 | |
| Tetraphenylphosphonium SCHEMBL2000464 | 0.81 | CA2 (0.61) | CA2CA4CES2CES1MAPT | |
| Acetic Acid SCHEMBL1033263 | 0.80 | ALDH1A1 (0.42) | CES2CES1NPC1RAB9AMEN1 | |
| 4-Methylbenzoic Acid SCHEMBL28171830 | 0.79 | CA2 (0.65) | CA2CA4CES2CES1NPC1 |
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 |