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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 19/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Mindodilol SCHEMBL11540170 | 0.88 | ADRB2 (0.63) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| Mindodilol SCHEMBL2107921 | 0.88 | ADRB2 (0.63) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| Mindodilol SCHEMBL6295415 | 0.87 | ADRB2 (0.61) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| SCHEMBL11544386 | 0.87 | HTR1A (0.47) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| SCHEMBL11540486 | 0.83 | ADRB2 (0.61) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| Benzoic Acid SCHEMBL11538250 | 0.82 | HTR1A (0.57) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| Benzoic Acid SCHEMBL11543852 | 0.81 | ADRB2 (0.53) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| SCHEMBL11541170 | 0.80 | HTR1A (0.64) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| SCHEMBL11541941 | 0.79 | ADRB2 (0.59) | HTR1AADRB2ADRB1ADRB3SLC6A4 | |
| SCHEMBL11539522 | 0.79 | HTR1A (0.66) | HTR1AADRB2ADRB1ADRB3SLC6A4 |
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-4146630-A | HYPOTENSIVE AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1979-03-27 | — | — | US | claimed |