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 |
| ▸ | CES1 | P23141 | 6/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7874620 | 0.86 | CES2 (0.41) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL7874733 | 0.85 | CA2 (0.57) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL1035073 | 0.82 | CA2 (0.64) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL31683026 | 0.82 | CA2 (0.64) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL31683096 | 0.81 | CA2 (0.61) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL31683181 | 0.81 | CA2 (0.61) | CA2CA4CES1CES2SMN1; SMN2 | |
| SCHEMBL7871179 | 0.80 | HIF1A (0.42) | CES1CES2KMT2AMEN1TSHR | |
| Benzoic Acid SCHEMBL38655964 | 0.79 | CA2 (0.89) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL7874749 | 0.79 | CA2 (0.64) | CA2CA4CES1CES2SMN1; SMN2 | |
| Benzoic Acid SCHEMBL7871227 | 0.79 | CA2 (0.64) | CA2CA4CES1CES2SMN1; 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 |