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 | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 11/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.47 |
| ▸ | SHBG | P04278 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL514373 | 0.89 | ESR1 (0.53) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL29500480 | 0.89 | ESR1 (0.53) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL8959369 | 0.89 | ESR1 (0.53) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL8938727 | 0.85 | SHBG (0.50) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL9628223 | 0.77 | LMNA (0.57) | STSHSD17B1CYP3A4ESR1MAPT | |
| Estrone SCHEMBL1270201 | 0.76 | CYP19A1 (0.81) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL9627672 | 0.76 | LMNA (0.55) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL9627476 | 0.76 | LMNA (0.51) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL8959358 | 0.75 | ESR1 (0.57) | STSHSD17B1CYP3A4ESR1MAPT | |
| SCHEMBL9627648 | 0.75 | MAPT (0.59) | STSHSD17B1CYP3A4ESR1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0318490-B1 | 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | claimed |
| EP-0318490-B1 | 14,17-G(B)-ETHANO-14-G(B)-ESTRATRIENES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-01-29 | — | — | EP | disclosed |