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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | BCL2 | P10415 | 1/20 | 0.59 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.57 |
| ▸ | RXRA | P19793 | 2/20 | 0.55 |
| ▸ | RXRB | P28702 | 2/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 SCHEMBL28095659 | 0.98 | ALDH1A1 (0.72) | ALDH1A1TSHRTP53DAONAPRT | |
| Ethylbenzene SCHEMBL9702634 | 0.93 | ALDH1A1 (0.87) | ALDH1A1TSHRTP53DAONAPRT | |
| Terephthalic Acid SCHEMBL27701083 | 0.91 | ALDH1A1 (0.76) | ALDH1A1TSHRTP53DAONAPRT | |
| Paraben SCHEMBL8675312 | 0.88 | ALDH1A1 (0.70) | ALDH1A1TP53BCL2TAS2R14RXRA | |
| Benzophenone SCHEMBL28116793 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TP53SRD5A2SLC6A2SLC6A3 | |
| SCHEMBL1330795 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TSHRTP53BCL2TAS2R14 | |
| SCHEMBL19901 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TSHRTP53BCL2TAS2R14 | |
| SCHEMBL1330335 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TSHRTP53BCL2TAS2R14 | |
| Benzoic Acid SCHEMBL28693411 | 0.85 | TSHR (0.78) | ALDH1A1TSHRTP53DAONAPRT | |
| Benzoic Acid SCHEMBL28601772 | 0.85 | TSHR (0.78) | ALDH1A1TSHRTP53DAONAPRT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010620-A | Polyacid catalytic preparation method of phenylacetonitrile | 上海应用技术大学 | 2022-09-06 | — | — | CN | disclosed |
| CN-215102614-U | Benzene acetonitrile tail water recovery processing system | 河北诚信集团有限公司 | 2021-12-10 | — | — | CN | disclosed |
| US-4477496-A | AN ORGANO-SILANE COUPLING AGENT, AND AN EPOXIDIZED POLYMER REACTED WITH AN AMINO ORGANO-SILANE COMPOUND | PPG INDUSTRIES, INC. (US) | 1984-10-16 | — | — | US | disclosed |
| US-4435474-A | PRODUCT OF EPOXIDIZED POLYMER AND AMINOSILANE, CROSSLINKABLE POLYMER | PPG INDUSTRIES, INC. (US) | 1984-03-06 | — | — | US | disclosed |
| US-4410645-A | REACTION PRODUCT OF EPOXIDIZED THERMOPLASTIC COPOLYMER AND ORGANOAMINOSILANE | PPG INDUSTRIES, INC. (US) | 1983-10-18 | — | — | US | disclosed |
| US-4370157-A | UNSATURATED POLYESTER MODIFIED WITH AN AMINO FUNCTIONAL SILANE COMPOUND | PPG INDUSTRIES, INC. (US) | 1983-01-25 | — | — | US | disclosed |
| US-4370439-A | Method of preparing a sizing composition for treating glass fibers | PPG INDUSTRIES, INC. (US) | 1983-01-25 | — | — | US | disclosed |
| US-4338234-A | REINFORCEMENT FOR MOLDING MATERIALS | PPG INDUSTRIES, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4338233-A | Aqueous sizing composition and sized glass fibers and method | PPG INDUSTRIES, INC. (US) | 1982-07-06 | — | — | US | disclosed |
| US-4049865-A | Glass fibers containing a dual polyester resin size | PPG INDUSTRIES, INC. (US) | 1977-09-20 | — | — | US | disclosed |
| US-4038243-A | POLYESTERS, SILANE COUPLER | PPG INDUSTRIES, INC. (US) | 1977-07-26 | — | — | US | disclosed |
| US-4029623-A | POLYESTERS, SILANE COUPLER | PPG INDUSTRIES, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-3936285-A | UNSATURATED POLYESTER, PLASTICIZER, METHACRYLOXYALKYL TRIALKOXY SILANE, AMINO SILANE COUPLER, ACRYLIC THERMOPLASTIC | PPG INDUSTRIES, INC. (US) | 1976-02-03 | — | — | US | disclosed |