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 | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | BCL2 | P10415 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 SCHEMBL5862551 | 0.85 | NAAA (0.54) | NAAASMN1; SMN2TSHRHTTDAO | |
| Toluene SCHEMBL28333239 | 0.85 | HTT (0.59) | NAAASMN1; SMN2TSHRHTTHPGD | |
| Benzene SCHEMBL28333274 | 0.84 | HTT (0.55) | NAAASMN1; SMN2TSHRHTTHPGD | |
| Benzoic Acid SCHEMBL27413851 | 0.82 | TSHR (0.67) | NAAATSHRDAONAPRTALDH1A1 | |
| Benzoic Acid SCHEMBL6573567 | 0.82 | TSHR (0.67) | NAAATSHRDAONAPRTALDH1A1 | |
| Benzoic Acid SCHEMBL28845500 | 0.82 | TSHR (0.67) | NAAATSHRDAONAPRTALDH1A1 | |
| Benzoic Acid SCHEMBL9594281 | 0.82 | TSHR (0.67) | NAAATSHRDAONAPRTALDH1A1 | |
| Benzoic Acid SCHEMBL9157936 | 0.82 | TSHR (0.67) | NAAATSHRDAONAPRTALDH1A1 | |
| Benzoic Acid SCHEMBL10711601 | 0.82 | ALOX15 (0.60) | NAAASMN1; SMN2TSHRHTTDAO | |
| SCHEMBL1002854 | 0.81 | NAAA (0.86) | NAAASMN1; SMN2TSHRHTTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4323469-A | SACCHARIN DERIVATIVE IN ADMIXTURE WITH A BASE AND A SOLVENT | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) | 1982-04-06 | — | — | US | disclosed |
| US-4315861-A | Process for O-acylating phenol derivatives and acylating compositions for this purpose | Chinoin Gyogyszer RT (HU) | 1982-02-16 | — | — | US | disclosed |