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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
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 SCHEMBL8431579 | 1.00 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPTSMN1; SMN2KMT2A | |
| Anthracene SCHEMBL10612288 | 0.83 | ALDH1A1 (0.69) | ALDH1A1TSHRMAPTSMN1; SMN2KMT2A | |
| Benzoic Acid SCHEMBL11308878 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPTSMN1; SMN2KMT2A | |
| SCHEMBL27647336 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRMAPTKMT2AMEN1 | |
| SCHEMBL29445 | 0.82 | — | — | |
| Acetic Acid SCHEMBL8429279 | 0.80 | ALDH1A1 (0.88) | ALDH1A1TSHRMAPTKMT2AMEN1 | |
| SCHEMBL4388647 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTSMN1; SMN2KMT2A | |
| SCHEMBL9346940 | 0.79 | ALDH1A1 (0.85) | ALDH1A1TSHRMAPTSMN1; SMN2KMT2A | |
| Benzoic Acid SCHEMBL28645605 | 0.78 | ELANE (0.48) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 | |
| Acetonitrile SCHEMBL23070461 | 0.78 | ALDH1A1 (0.92) | ALDH1A1TSHRMAPTKMT2AMEN1 |
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 |