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 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | RARB | P10826 | 6/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
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 SCHEMBL28937524 | 0.98 | CES2 (0.54) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27413851 | 0.90 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28845500 | 0.90 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9594281 | 0.90 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL27373366 | 0.89 | CES2 (0.46) | TSHRDAONAPRTCES2CES1 | |
| Hexadecane SCHEMBL28733004 | 0.88 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9089056 | 0.88 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Dodecane SCHEMBL28594534 | 0.88 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8371517 | 0.88 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Undecane SCHEMBL15129102 | 0.88 | 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-116940551-A | Method for producing aryl compound containing pentafluorothio group | ＡＧＣ株式会社 | 2023-10-24 | — | — | CN | disclosed |