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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 2/20 | 0.44 |
| ▸ | BID | P55957 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27679773 | 0.91 | BID (0.44) | CA2BIDMCL1BCL2L1BAK1 | |
| Phthalic Acid SCHEMBL27323736 | 0.89 | CA9 (0.51) | CA2TSHRHSD17B10BIDMCL1 | |
| SCHEMBL51728 | 0.88 | CA2 (0.49) | CA2TSHRCA12CA9CA1 | |
| SCHEMBL30140890 | 0.88 | CA2 (0.49) | CA2TSHRCA12CA9CA1 | |
| Ammonia Solution, Strong SCHEMBL28168503 | 0.86 | CA2 (0.47) | CA2TSHRCA12CA9CA1 | |
| SCHEMBL7444688 | 0.86 | CA2 (0.47) | CA2TSHRCA12CA9CA1 | |
| Methane SCHEMBL27933205 | 0.86 | CA2 (0.47) | CA2TSHRCA12CA9CA1 | |
| Methacrylic Acid SCHEMBL28038577 | 0.84 | ADRB2 (0.40) | CA2BIDMCL1BCL2L1BAK1 | |
| SCHEMBL1881549 | 0.83 | CA2 (0.50) | CA2BIDMCL1BCL2L1BAK1 | |
| SCHEMBL579137 | 0.82 | LIPG (0.50) | CA2BIDMCL1BCL2L1BAK1 |
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-113621098-B | Propylene polymerization catalyst, propylene polymerization catalyst system, preparation and application thereof | 中国石油天然气股份有限公司 | 2022-11-04 | — | — | CN | disclosed |