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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1367028 | 0.87 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31258832 | 0.87 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1647438 | 0.79 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1790176 | 0.79 | SLC6A3 (0.50) | TSHRLMNASLC6A3SLC6A4MEN1 | |
| SCHEMBL23419469 | 0.77 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5695895 | 0.77 | SLC6A3 (0.72) | TSHRLMNASLC6A3SLC6A4MEN1 | |
| SCHEMBL11138190 | 0.76 | NPC1 (0.61) | TSHRLMNAARMAOBMEN1 | |
| SCHEMBL30070863 | 0.76 | NPC1 (0.61) | TSHRLMNAARMAOBMEN1 | |
| SCHEMBL23729962 | 0.76 | KEAP1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11692721 | 0.75 | CA1 (0.59) | CA12CA1CA2CA7CA9 |
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-1660065-A2 | TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005020976-A2 | TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |