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 | 3/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL28707677 | 1.00 | TSHR (0.58) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL971091 | 0.98 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL2835761 | 0.96 | TSHR (0.58) | TSHRDAONAPRTCES1CES2 | |
| Benzophenone SCHEMBL5566782 | 0.85 | ALDH1A1 (0.61) | TSHRSRD5A2AKT1HDAC1HDAC2 | |
| Benzamide SCHEMBL11771049 | 0.83 | CYP3A4 (0.67) | TSHRDAONAPRTCES1AKT1 | |
| Benzoic Acid SCHEMBL3266320 | 0.83 | TSHR (0.64) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL31376992 | 0.82 | TSHR (0.78) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL31182419 | 0.81 | ALDH1A1 (0.54) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9740671 | 0.81 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 | |
| Benzoic Acid SCHEMBL9472196 | 0.81 | TSHR (0.61) | TSHRDAONAPRTCES1CES2 |
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-114042326-A | Bubble water and preparation method thereof | 萍乡亨厚新材科技有限公司 | 2022-02-15 | — | — | CN | disclosed |