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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | DDT | P30046 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.48 |
| ▸ | HNF4A | P41235 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL460360 | 0.87 | ACMSD (0.58) | ACMSDHNF4AEGFRKMOPTPN1 | |
| Benzoic Acid SCHEMBL3778226 | 0.84 | CYP2C8 (0.56) | DAOTSHRNAPRTCYP2C8CYP2C9 | |
| SCHEMBL30462310 | 0.84 | DDT (0.49) | TSHRDDTKDM4EPTPN1 | |
| SCHEMBL10334618 | 0.83 | ACMSD (0.62) | KDM4EACMSDHNF4APTPN1AKR1C3 | |
| Terephthalic Acid SCHEMBL28437947 | 0.82 | KDM4E (0.55) | DAOTSHRNAPRTDDTCYP2C8 | |
| SCHEMBL2462821 | 0.82 | ACMSD (0.66) | ACMSDHNF4AKMOPTPN1NPC1 | |
| SCHEMBL599317 | 0.82 | FOLH1 (0.53) | TSHRDDTCYP2C8KDM4ESRD5A2 | |
| SCHEMBL6422582 | 0.81 | CYP1A2 (0.44) | TSHRDDTKDM4EACMSDHNF4A | |
| SCHEMBL10782352 | 0.81 | DDT (0.67) | DDTKDM4EKMOPLA2G2APTPN1 | |
| SCHEMBL30777933 | 0.81 | HNF4A (0.55) | DDTKDM4EACMSDHNF4AEGFR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399458-B1 | AN ARYLATION METHOD FOR THE FUNCTIONALIZATION OF O-ALLYL ERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2005-08-03 | — | — | EP | claimed |
| CN-113710710-A | Method for producing propylene polymer | 住友化学株式会社 | 2021-11-26 | — | — | CN | disclosed |
| EP-3419987-A1 | AFFINITY LIGAND FOR THE PURIFICATION OF GLYCOSYLATED BIOMOLECULES | Hochschule für Technik und Wirtschaft (HTW) Berlin (DE) | 2019-01-02 | — | — | EP | disclosed |
| WO-2017144099-A1 | AFFINITY LIGAND FOR THE PURIFICATION OF GLYCOSYLATED BIOMOLECULES | HOCHSCHULE FÜR TECHNIK UND WIRTSCHAFT (HTW) BERLIN (DE) | 2017-08-31 | — | — | WO | disclosed |
| US-5254676-A | Oligosaccharide inhibitors for influenza virus | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-10-19 | — | — | US | disclosed |
| US-5220008-A | Oligosaccharide inhibitors for influenza virus | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-15 | — | — | US | disclosed |
| US-5026898-A | Cell process controllers | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-06-25 | — | — | US | disclosed |
| US-4924023-A | MEDICINE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-08 | — | — | US | disclosed |
| US-4873355-A | Process for regioselectively preparing phosphorylated inositols and other cyclitols | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-10-10 | — | — | US | disclosed |