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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.50 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.50 |
| ▸ | FLT3 | P36888 | 3/20 | 0.50 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL318243 | 0.92 | KDM4E (0.63) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL29496122 | 0.92 | KDM4E (0.63) | KDM4EMAPTDAOHPGDSRD5A2 | |
| Ammonia Solution, Strong SCHEMBL27264748 | 0.90 | KDM4E (0.61) | KDM4EMAPTDAOHPGDSRD5A2 | |
| Pyridine SCHEMBL6315966 | 0.85 | KDM4E (0.53) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL6947975 | 0.83 | HRH3 (0.52) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL30881125 | 0.81 | KDM4E (0.57) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL30382031 | 0.80 | FLT3 (0.56) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL25192901 | 0.77 | KDM4E (0.53) | KDM4EMAPTDAOHPGDSRD5A2 | |
| SCHEMBL27538906 | 0.77 | HRH4 (0.60) | KDM4ELMNATP53L3MBTL1FLT3 | |
| SCHEMBL23000265 | 0.77 | KDM4E (0.59) | KDM4EMAPTDAOHPGDSRD5A2 |
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-105439913-B | A kind of germacrone derivative and its preparation method and application | 广东药科大学 | 2017-09-05 | — | — | CN | disclosed |
| CN-105439913-A | Germacrone derivative as well as preparation method and application thereof | UNIV GUANGDONG PHARM | 2016-03-30 | — | — | CN | disclosed |