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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL2445881 | 0.88 | LMNA (0.50) | ELANEALDH1A1LMNAKMT2ATSHR | |
| Benzoic Acid SCHEMBL28637057 | 0.83 | CES2 (0.44) | ELANESRD5A2CES2CES1KMT2A | |
| SCHEMBL604740 | 0.82 | HSD17B10 (0.48) | ELANEALDH1A1TSHRHSD17B10NPC1 | |
| Benzoic Acid SCHEMBL8431579 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KMT2ATSHRDAO | |
| Benzoic Acid SCHEMBL28632840 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KMT2ATSHRDAO | |
| SCHEMBL28040187 | 0.77 | HSD17B10 (0.44) | ELANEALDH1A1KMT2ATSHRHSD17B10 | |
| Benzoic Acid 4-Methylphenyl Ester SCHEMBL28923152 | 0.77 | KMT2A (0.51) | ELANEALDH1A1SMN1; SMN2KMT2ANPC1 | |
| Benzoic Acid SCHEMBL22609156 | 0.74 | ELANE (0.81) | ELANELMNASRD5A2CES2CES1 | |
| SCHEMBL5012586 | 0.74 | ALDH1A1 (0.40) | ELANEALDH1A1KMT2ATSHRHSD17B10 | |
| Benzoic Acid SCHEMBL8356613 | 0.73 | TSHR (0.56) | ALDH1A1LMNASRD5A2CES2CES1 |
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 |