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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | EIF4EBP1 | Q13541 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8484765 | 0.91 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8489042 | 0.80 | GAA (0.40) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8488438 | 0.80 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8485126 | 0.79 | KMT2A (0.42) | ALDH1A1KDM4EHPGDHSD17B10HDAC1 | |
| SCHEMBL8489699 | 0.79 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8485814 | 0.78 | GAA (0.43) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL8485019 | 0.78 | NAMPT (0.42) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL9371713 | 0.76 | HDAC1 (0.46) | SMN1; SMN2HDAC1HDAC2HDAC11HDAC8 | |
| SCHEMBL9221939 | 0.75 | HDAC1 (0.34) | ALDH1A1MAPTKDM4EHPGDEIF4EBP1 | |
| SCHEMBL8485856 | 0.74 | GAA (0.43) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD |
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-5955463-A | ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS | ZENECA LIMITED (GB) | 1999-09-21 | — | — | US | disclosed |