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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL11409307 | 0.91 | TSHR (0.57) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1131860 | 0.87 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL1913806 | 0.86 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL5607281 | 0.86 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL7865148 | 0.86 | TSHR (0.74) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL21145085 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28648667 | 0.84 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL5082990 | 0.84 | TSHR (0.70) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL28327607 | 0.84 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Paraben SCHEMBL3692910 | 0.83 | CA2 (0.64) | TSHRCES2SRD5A2TP53SMN1; SMN2 |
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-0086994-B1 | KARL FISCHER REAGENT AND METHOD FOR THE DETERMINATION OF WATER USING THIS REAGENT | MERCK PATENT GmbH (DE) | 1987-01-07 | — | — | EP | claimed |
| US-4550083-A | Karl-Fischer reagent and procedure for the determination of water using it | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-10-29 | — | — | US | claimed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |
| US-4550083-A | Karl-Fischer reagent and procedure for the determination of water using it | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-10-29 | — | — | US | disclosed |