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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 10/20 | 0.50 |
| ▸ | HTR1B known ✓ | P28222 | 10/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.63 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8891598 | 0.88 | HTR1A (0.67) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL7204936 | 0.84 | HTR1A (0.75) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL7208781 | 0.84 | HTR1A (0.75) | HTR1AHTR1DHTR1BDRD2 | |
| Benzoic Acid SCHEMBL7515933 | 0.83 | HTR1A (0.64) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL8889776 | 0.82 | HTR1A (0.83) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL9412130 | 0.82 | HTR1A (0.83) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL9790402 | 0.81 | HTR1A (0.62) | HTR1AHTR1DHTR1BDRD2 | |
| SCHEMBL9559114 | 0.78 | HTR1A (0.72) | HTR1AHTR1DHTR1BDRD2 | |
| Ly-293284 SCHEMBL7202815 | 0.78 | HTR1A (1.00) | HTR1AHTR1DHTR1BDRD2 | |
| Ly-293284 SCHEMBL7204055 | 0.78 | HTR1A (1.00) | HTR1AHTR1DHTR1BDRD2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0153083-B1 | 6-SUBSTITUTED-4-DIALKYLAMINOTETRAHYDROBENZ(C,D)INDOLES | ELI LILLY AND COMPANY (US) | 1990-05-23 | — | — | EP | disclosed |
| US-4576959-A | ANTIDEPRESSANTS | ELI LILLY AND COMPANY (US) | 1986-03-18 | — | — | US | disclosed |
| EP-0153083-A2 | 6-Substituted-4-dialkylaminotetrahydrobenz(c,d)indoles | ELI LILLY AND COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |