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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL201293 | 0.84 | LMNA (0.36) | LMNATSHRTDP1 | |
| Benzoic Acid SCHEMBL271750 | 0.80 | TSHR (0.42) | LMNACYP2D6CYP1A2CYP2C19DAO | |
| SCHEMBL271749 | 0.78 | CYP2D6 (0.47) | LMNAELANECYP2D6CYP1A2CYP2C19 | |
| Benzoic Acid SCHEMBL271819 | 0.78 | TSHR (0.50) | LMNACYP2D6CYP2C19DAOTSHR | |
| Benzoic Acid SCHEMBL28737090 | 0.74 | TSHR (0.54) | LMNACYP2C19DAOTSHRNAPRT | |
| Benzoic Acid SCHEMBL1784685 | 0.74 | TSHR (0.45) | LMNACYP2D6CYP1A2CYP2C19DAO | |
| 1-Hexanol SCHEMBL2519374 | 0.73 | CYP4F2 (0.40) | LMNATSHRTDP1KMT2AMEN1 | |
| Benzoic Acid SCHEMBL4839046 | 0.73 | DAO (0.44) | LMNACYP2D6CYP1A2CYP2C19DAO | |
| Benzoic Acid SCHEMBL1786034 | 0.73 | TSHR (0.44) | LMNACYP2D6CYP1A2CYP2C19DAO | |
| Benzoic Acid SCHEMBL1786441 | 0.73 | DAO (0.44) | LMNACYP2D6CYP1A2CYP2C19DAO |
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 |
|---|---|---|---|---|---|---|---|
| US-4017493-A | CURING | GAF CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |