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 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1144353 | 0.88 | CYP1A2 (0.50) | CA2CA4CES2CES1TSHR | |
| Bicarbonate SCHEMBL11663344 | 0.88 | CYP1A2 (0.50) | CA2CA4CES2CES1TSHR | |
| Acetic Acid SCHEMBL328882 | 0.86 | TSHR (0.48) | CA2CA4CES2CES1TSHR | |
| Oxalic Acid SCHEMBL10577823 | 0.86 | CYP1A2 (0.48) | CA2CA4CES2CES1TSHR | |
| Acetic Acid SCHEMBL133341 | 0.86 | TSHR (0.48) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL7874586 | 0.86 | CA2 (0.53) | CA2CA4CES2CES1TSHR | |
| Benzoic Acid SCHEMBL7874723 | 0.85 | CA2 (0.57) | CA2CA4CES2CES1TSHR | |
| Propionic Acid SCHEMBL1399930 | 0.85 | CYP1A2 (0.47) | CES2CES1TSHRALDH1A1CYP1A2 | |
| Acetic Acid SCHEMBL328881 | 0.85 | TSHR (0.47) | CA2CA4CES2CES1TSHR | |
| Acetic Acid SCHEMBL9467718 | 0.85 | TSHR (0.47) | CA2CA4CES2CES1TSHR |
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 3 patents. 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 |
| US-4179571-A | FLAME RETARDANT FOR POLYMERIC MATERIALS | PHILLIPS PETROLEUM COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4158655-A | FIREPROOFING POLYOLEFINS | PHILLIPS PETROLEUM COMPANY (US) | 1979-06-19 | — | — | US | disclosed |