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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA6 | P23280 | 3/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28833613 | 0.83 | CES2 (0.46) | DAOTTRCES2CES1ALB | |
| SCHEMBL15839 | 0.81 | — | — | |
| SCHEMBL7805063 | 0.81 | CES2 (0.48) | DAOCES2CES1ALBKDM4E | |
| Water SCHEMBL28142244 | 0.79 | CES2 (0.46) | DAOCES2CES1ALBKDM4E | |
| Benzoic Acid SCHEMBL7669891 | 0.79 | TSHR (0.78) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL2019528 | 0.79 | TSHR (0.78) | NAPRTTSHRDAOCES2CES1 | |
| Benzoic Acid SCHEMBL29118978 | 0.77 | TSHR (0.67) | NAPRTTSHRDAOTTRCES2 | |
| Benzoic Acid SCHEMBL3827683 | 0.77 | TSHR (0.67) | NAPRTTSHRDAOCES2CES1 | |
| Acrylic Acid SCHEMBL28439947 | 0.77 | CES2 (0.44) | TTRCES2CES1ALBLMNA | |
| Benzoic Acid SCHEMBL316198 | 0.76 | TSHR (0.93) | NAPRTTSHRDAOCES2CES1 |
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-110938439-B | High-polarity large-optical birefringence liquid crystal composition | 清华大学 | 2021-03-19 | — | — | CN | disclosed |