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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 1/20 | 0.61 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 SCHEMBL2400344 | 0.89 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28693411 | 0.89 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28601772 | 0.89 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9705228 | 0.89 | TSHR (0.78) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL17594839 | 0.87 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL871104 | 0.86 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28646593 | 0.86 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1901608 | 0.85 | TSHR (0.58) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL2963265 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL247596 | 0.84 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 |
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-112707980-A | Catalyst for ethylene polymerization and application thereof | 中国石油化工股份有限公司 | 2021-04-27 | — | — | CN | disclosed |