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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.70 |
| ▸ | TYR | P14679 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA6 | P23280 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Bisphenol A SCHEMBL5935233 | 0.89 | ESR1 (0.70) | ESR1ESR2TYRCA12CA1 | |
| SCHEMBL11223972 | 0.87 | ESR1 (0.68) | ESR1ESR2CYP3A4ALDH1A1SRD5A2 | |
| Benzoic Acid SCHEMBL27569004 | 0.87 | ESR1 (0.74) | ESR1ESR2TYRCA12CA1 | |
| SCHEMBL30295456 | 0.86 | ESR1 (0.59) | ESR1ESR2TSHRDAONAPRT | |
| SCHEMBL7776694 | 0.86 | ESR1 (0.59) | ESR1ESR2TSHRDAONAPRT | |
| Bicarbonate SCHEMBL10932476 | 0.86 | ESR1 (0.87) | ESR1ESR2TYRTSHRCYP3A4 | |
| Bicarbonate SCHEMBL19723102 | 0.86 | ESR1 (0.87) | ESR1ESR2TYRTSHRCYP3A4 | |
| SCHEMBL8031149 | 0.83 | ESR1 (1.00) | ESR1ESR2TYRCA12CA1 | |
| Phenol SCHEMBL8987629 | 0.83 | ESR1 (0.91) | ESR1ESR2TYRCA12CA1 | |
| SCHEMBL27277 | 0.83 | ESR1 (1.00) | ESR1ESR2TYRCA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5438142-A | Tris(hydroxyphenyl)ethanes having ketone, bromine, sulfonate, or amine groups as condensation polymer modifiers; photostabilizers, flame retardants, discoloration inhibitors, antisoilants, antioxidants | HOECHST CELANESE CORP. (US) | 1995-08-01 | — | — | US | disclosed |