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 | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL299227 | 0.89 | AKR1B1 (0.68) | AKR1B1TSHRGAANPSR1HSPA5 | |
| SCHEMBL4655209 | 0.89 | AKR1B1 (0.68) | AKR1B1TSHRGAANPSR1HSPA5 | |
| Methane SCHEMBL22289679 | 0.87 | AKR1B1 (0.65) | AKR1B1TSHRGAANPSR1HSPA5 | |
| Butane SCHEMBL9614624 | 0.81 | AKR1B1 (0.59) | AKR1B1TSHRGAANPSR1HSPA5 | |
| SCHEMBL4810865 | 0.79 | AKR1B1 (0.51) | AKR1B1GAANPSR1CES2CES1 | |
| Benzene SCHEMBL15265833 | 0.78 | AKR1B1 (0.50) | AKR1B1TSHRGAANPSR1CES2 | |
| Benzoic Acid SCHEMBL27590638 | 0.78 | TSHR (0.54) | AKR1B1TSHRNAPRTDAOCES2 | |
| SCHEMBL948884 | 0.77 | AKR1B1 (0.69) | AKR1B1TSHRGAACES1HSPA5 | |
| SCHEMBL30449014 | 0.76 | AKR1B1 (1.00) | AKR1B1TSHRGAARECQLHSPA5 | |
| SCHEMBL72309 | 0.76 | AKR1B1 (1.00) | AKR1B1TSHRGAARECQLHSPA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1912942-A1 | NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. | AstraZeneca AB (SE) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007015664-A1 | NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. | ASTRAZENECA AB (SE) | 2007-02-08 | — | — | WO | disclosed |