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 | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 2/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
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 SCHEMBL7789533 | 1.00 | SLC1A3 (0.37) | SLC1A3SLC1A2SLC1A1ALPIPKM | |
| Oxalic Acid SCHEMBL8178368 | 0.91 | ALPI (0.39) | SLC1A3SLC1A2SLC1A1ALPIPKM | |
| Oxalic Acid SCHEMBL7796367 | 0.91 | ALPI (0.39) | SLC1A3SLC1A2SLC1A1ALPIPKM | |
| SCHEMBL8178047 | 0.90 | SORT1 (0.39) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL7797908 | 0.90 | SORT1 (0.39) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL7789573 | 0.90 | SORT1 (0.39) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL8175477 | 0.90 | SORT1 (0.39) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL7796588 | 0.89 | SORT1 (0.38) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL8175122 | 0.89 | SORT1 (0.38) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL8174696 | 0.86 | SORT1 (0.35) | ALPIPKMPTGS1XIAPSLC7A5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750717-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-12 | — | — | US | claimed |
| US-6018069-A | 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-01-25 | — | — | US | disclosed |
| US-5962692-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-05 | — | — | US | disclosed |
| US-5750717-A | 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0748801-A1 | 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-12-18 | — | — | EP | disclosed |