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 | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL5095997 | 0.95 | ALDH1A1 (0.58) | FFAR1ALDH1A1L3MBTL1BACE1PKM | |
| SCHEMBL5840304 | 0.92 | ALDH1A1 (0.61) | FFAR1ALDH1A1L3MBTL1PKMCHRNB2 | |
| Hydrochloric Acid SCHEMBL8986262 | 0.90 | ALDH1A1 (0.59) | FFAR1ALDH1A1L3MBTL1PKMCHRNB2 | |
| Benzene SCHEMBL28158854 | 0.89 | ALDH1A1 (0.65) | FFAR1ALDH1A1L3MBTL1PKMCHRNB2 | |
| SCHEMBL5090338 | 0.88 | MMP2 (0.50) | FFAR1ALDH1A1L3MBTL1BACE1PKM | |
| SCHEMBL1489146 | 0.87 | ALDH1A1 (0.67) | FFAR1ALDH1A1L3MBTL1PKMCHRNB2 | |
| SCHEMBL472119 | 0.87 | BACE1 (0.51) | ALDH1A1BACE1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9122915 | 0.86 | POLB (0.55) | ALDH1A1L3MBTL1PKMKDM4EPOLB | |
| Hydrochloric Acid SCHEMBL711176 | 0.85 | ALDH1A1 (0.65) | FFAR1ALDH1A1L3MBTL1PKMCHRNB2 | |
| SCHEMBL8825667 | 0.84 | BACE1 (0.52) | FFAR1L3MBTL1BACE1CHRNB2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4217688-A | — | — | None | — | — | JP | disclosed |
| JP-H04217688-A | ORGANOSILSESQUIOXANE HAVING AT LEAST ONE MESOGENIC SIDE GROUP AND PREPARATION THEREOF | CONSORTIUM ELEKTROCHEM IND GMBH | 1992-08-07 | — | — | JP | disclosed |