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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | SCN1A | P35498 | 1/20 | 0.65 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.65 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 SCHEMBL3392134 | 0.88 | KDM4E (0.61) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL1153017 | 0.79 | KDM4E (0.68) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL16822346 | 0.79 | KDM4E (0.68) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL24715431 | 0.79 | KDM4E (0.68) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL183426 | 0.79 | KDM4E (0.68) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL23132214 | 0.79 | KDM4E (0.68) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL1645996 | 0.79 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL34238 | 0.79 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Hexylcaine SCHEMBL34239 | 0.79 | LMNA (1.00) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Benzoic Acid SCHEMBL14955132 | 0.78 | LMNA (0.46) | LMNACYP1A2CYP2D6SCN1ASCN2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023094418-A1 | METHOD AND SYSTEM FOR PRODUCING BENZOIC ACID FROM POLYSTYRENE | UNIVERSITEIT ANTWERPEN (BE) | 2023-06-01 | — | — | WO | disclosed |
| EP-1482791-B1 | ANTIMICROBIAL THERAPEUTIC COMPOSITIONS AND METHODS OF USE | NINKOV DUSAN DR (US) | 2010-08-25 | — | — | EP | disclosed |