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 | 7/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL4910902 | 0.85 | ALDH1A1 (0.68) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL8588438 | 0.83 | ALDH1A1 (0.65) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL3369467 | 0.83 | KMT2A (0.77) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL16705993 | 0.78 | MAPT (0.68) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| (E)-1,2-Di-P-Tolylethene SCHEMBL18050340 | 0.78 | MAPT (0.68) | ALDH1A1MAPTKMT2AMEN1EGFR | |
| Benzoic Acid SCHEMBL3897333 | 0.77 | ALDH1A1 (0.80) | ALDH1A1MAPTKMT2AMEN1POLB | |
| SCHEMBL8953176 | 0.77 | MAPT (0.69) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL8953182 | 0.77 | MAPT (0.69) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| Benzoic Acid SCHEMBL19875757 | 0.76 | MAPT (0.66) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| SCHEMBL18868872 | 0.76 | MAPT (0.65) | ALDH1A1MAPTKMT2AMEN1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-113444099-B | Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof | 浙江大学城市学院 | 2022-06-21 | — | — | CN | disclosed |
| CN-113444099-A | Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof | 浙江大学城市学院 | 2021-09-28 | — | — | CN | disclosed |