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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.75 |
| ▸ | CA2 | P00918 | 1/20 | 0.75 |
| ▸ | CES2 | O00748 | 3/20 | 0.67 |
| ▸ | CES1 | P23141 | 3/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
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 SCHEMBL28354854 | 0.96 | CA1 (0.69) | CA1CA2CES2CES1DAO | |
| P-Anisic Acid SCHEMBL27338972 | 0.88 | CA1 (0.95) | CA1CA2CES2CES1NPC1 | |
| Benzoic Acid SCHEMBL29612332 | 0.88 | CES2 (0.89) | CA1CA2CES2CES1DAO | |
| Benzil SCHEMBL27611875 | 0.88 | CES2 (0.89) | CA1CA2CES2CES1DAO | |
| Benzoic Acid SCHEMBL932178 | 0.86 | CA1 (0.68) | CA1CA2CES2CES1DAO | |
| P-Anisic Acid SCHEMBL43335 | 0.86 | CA1 (1.00) | CA1CA2CES2CES1TSHR | |
| P-Anisic Acid SCHEMBL1157044 | 0.86 | CA1 (1.00) | CA1CA2CES2CES1TSHR | |
| Anisole SCHEMBL5864971 | 0.85 | CA4 (0.78) | CA1CA2CES2CES1CA4 | |
| Benzoic Acid SCHEMBL22832417 | 0.85 | TSHR (0.78) | CA1CA2CES2CES1DAO | |
| Benzoic Acid SCHEMBL29265563 | 0.85 | TSHR (0.78) | CA1CA2CES2CES1DAO |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114787667-B | Optical laminate, polarizing plate, image display device, and touch panel | 富士胶片株式会社 | 2024-03-22 | — | — | CN | disclosed |
| WO-2018144620-A9 | ANTI-FIBROTIC COMPOUNDS | CERTA THERAPEUTICS PTY LTD. (AU) | 2019-01-24 | — | — | WO | disclosed |
| WO-2018144620-A1 | ANTI-FIBROTIC COMPOUNDS | SHIRE HUMAN GENETIC THERAPIES, INC. (US) | 2018-08-09 | — | — | WO | disclosed |