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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.56 |
| ▸ | CES1 | P23141 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 SCHEMBL3529350 | 1.00 | CES2 (0.56) | CES2CES1CA2CA4KDM4E | |
| Benzoic Acid SCHEMBL5273323 | 0.97 | CES2 (0.56) | CES2CES1CA2CA4KDM4E | |
| Benzoic Acid SCHEMBL3529347 | 0.85 | CES2 (0.55) | CES2CES1KDM4EMEN1RECQL | |
| Behenic Acid SCHEMBL4587443 | 0.84 | CES2 (0.63) | CES2CES1CA2CA4NAAA | |
| Stearic Acid SCHEMBL3527610 | 0.84 | CES2 (0.63) | CES2CES1CA2CA4NAAA | |
| Stearic Acid SCHEMBL11512773 | 0.84 | CES2 (0.63) | CES2CES1CA2CA4NAAA | |
| Stearic Acid SCHEMBL9785245 | 0.84 | CES2 (0.63) | CES2CES1CA2CA4NAAA | |
| Behenic Acid SCHEMBL8991167 | 0.84 | CES2 (0.63) | CES2CES1CA2CA4NAAA | |
| Benzoyl Peroxide SCHEMBL6063535 | 0.84 | CES2 (0.54) | CES2CES1KDM4EMEN1RECQL | |
| Benzamide SCHEMBL8749545 | 0.83 | CES2 (0.54) | CES2CES1KDM4EMEN1RECQL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0029589-B1 | PROCESS FOR MAKING GREASE COMPOSITIONS | Chattem, Inc. (US) | 1984-07-04 | — | — | EP | disclosed |
| US-4324670-A | MULTISTAGE HEATING OF MIXTURE OF ALUMINUM ALKOXIDE AND CARBOXYLIC ACIDS IN ALKANOL | CHATTEM, INC. (US) | 1982-04-13 | — | — | US | disclosed |
| US-4303538-A | Grease compositions and oxyaluminum acylate intermediate compositions useful in the preparation thereof | CHATTEM, INC. (US) | 1981-12-01 | — | — | US | disclosed |
| US-4280917-A | Grease compositions and oxyaluminum acylate intermediate compositions useful in the preparation thereof | CHATTEM, INC. (US) | 1981-07-28 | — | — | US | disclosed |
| EP-0029589-A2 | Process for making grease compositions | Chattem, Inc. (US) | 1981-06-03 | — | — | EP | disclosed |