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 | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | RXRB | P28702 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.53 |
| ▸ | KCNK9 | Q9NPC2 | 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 SCHEMBL28611216 | 1.00 | DAO (0.64) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| Terephthalic Acid SCHEMBL8103061 | 0.93 | SMN1; SMN2 (0.65) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| Isophthalic Acid SCHEMBL7159308 | 0.91 | PARP1 (0.57) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| Benzoic Acid SCHEMBL28348484 | 0.91 | TSHR (0.70) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| Terephthalic Acid SCHEMBL28419061 | 0.90 | SMN1; SMN2 (0.56) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| SCHEMBL14406 | 0.88 | PARP1 (0.65) | POLBSMN1; SMN2PARP1TPMTALDH1A1 | |
| SCHEMBL29382709 | 0.88 | PARP1 (0.65) | POLBSMN1; SMN2PARP1TPMTALDH1A1 | |
| SCHEMBL142937 | 0.88 | PARP1 (0.65) | POLBSMN1; SMN2PARP1TPMTALDH1A1 | |
| Benzoic Acid SCHEMBL5706549 | 0.88 | TSHR (0.74) | DAOTSHRNAPRTPOLBSMN1; SMN2 | |
| Benzoic Acid SCHEMBL10436416 | 0.88 | TSHR (0.74) | DAOTSHRNAPRTPOLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072237-A1 | ZSM-5 MOLECULAR SIEVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, HYDROTREATMENT CATALYST, HYDRODEWAXING CATALYST, AND APPLICATIONS THEREOF | 中国石油化工股份有限公司 | 2023-05-04 | — | — | WO | disclosed |