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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9856174 | 0.81 | L3MBTL1 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9856989 | 0.77 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3KCNH2ADRB1 | |
| SCHEMBL9856897 | 0.76 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9857236 | 0.74 | HTR2A (0.53) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9856935 | 0.74 | SLC6A2 (0.49) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9857321 | 0.70 | HTR2A (0.47) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9857368 | 0.70 | HTR2A (0.47) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 | |
| SCHEMBL9856763 | 0.69 | SLC6A4 (0.44) | SLC6A4HRH1KDM4EL3MBTL1KMT2A | |
| SCHEMBL11217648 | 0.69 | LTB4R (0.47) | KMT2A | |
| SCHEMBL14526719 | 0.69 | HTR2A (0.53) | SLC6A2SLC6A4SLC6A3KCNH2HRH1 |
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-4996235-A | Selectively inhibiting the uptake of serotonin and norepinephrine | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |