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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28102756 | 0.81 | NR4A2 (0.37) | TSHRMAPK1CTSLLMNAMAPT | |
| Thiobenzoic Acid SCHEMBL161151 | 0.75 | CA12 (0.48) | TSHRCTSLLMNACTSSCTSK | |
| Thiobenzoic Acid SCHEMBL28495140 | 0.73 | CA12 (0.46) | CES2CES1MAPK1CTSLLMNA | |
| SCHEMBL161152 | 0.73 | NR4A2 (0.38) | TSHRCTSLLMNACTSSCTSK | |
| Benzoyl Peroxide SCHEMBL28131759 | 0.72 | LMNA (0.52) | TSHRLMNATDP1ALDH1A1POLB | |
| Thiobenzoic Acid SCHEMBL28164247 | 0.72 | NR4A2 (0.40) | TSHRCTSLLMNACTSSCTSK | |
| Thiobenzoic Acid SCHEMBL2354925 | 0.72 | NR4A2 (0.40) | TSHRCTSLLMNACTSSCTSK | |
| Benzoic Acid SCHEMBL1344030 | 0.71 | TSHR (0.58) | DAOTSHRNAPRTCES2CES1 | |
| SCHEMBL4229223 | 0.69 | NR4A2 (0.37) | TSHRMAPK1CTSLLMNACTSS | |
| SCHEMBL19233794 | 0.68 | ALDH1A1 (0.43) | LMNAMAPTL3MBTL1HTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105849211-B | Acrylic dispersants with fused aromatic imide anchor groups | 路博润先进材料公司 | 2022-01-21 | — | — | CN | disclosed |