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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 SCHEMBL9813676 | 0.86 | CYP2D6 (0.39) | TSHRKMT2ACCR2PLA2G1BATG4B | |
| Benzoic Acid SCHEMBL9813665 | 0.76 | PLA2G1B (0.40) | TSHRKMT2ACCR2PLA2G1BATG4B | |
| Benzoic Acid SCHEMBL9813580 | 0.76 | OPRD1 (0.41) | TSHRPOLBKMT2AALDH1A1PLA2G1B | |
| Benzoic Acid SCHEMBL9813632 | 0.75 | PLA2G1B (0.38) | TSHRKMT2AALDH1A1CCR2PLA2G1B | |
| Benzoic Acid SCHEMBL9813613 | 0.74 | LMNA (0.48) | TSHRKMT2ACCR2PLA2G1BATG4B | |
| Benzoic Acid SCHEMBL9813623 | 0.74 | OPRD1 (0.41) | TSHRKMT2AALDH1A1CCR2PLA2G1B | |
| Benzoic Acid SCHEMBL9813741 | 0.73 | TSHR (0.47) | TSHRKMT2ACCR2PLA2G1BATG4B | |
| Butyric Acid SCHEMBL9813710 | 0.73 | PABPC1 (0.39) | TSHRALDH1A1CYP3A4SLC18A3LMNA | |
| Benzoic Acid SCHEMBL9813611 | 0.73 | CCR2 (0.38) | TSHRKMT2ACCR2PLA2G1BATG4B | |
| SCHEMBL11531727 | 0.71 | TSHR (0.40) | TSHRPOLBKMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0163245-B1 | DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS | AUSIMONT S.r.l. (IT) | 1991-07-31 | — | — | EP | disclosed |