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 | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7874650 | 0.91 | MRGPRX4 (0.44) | MRGPRX4POLBGLAL3MBTL1ALDH1A1 | |
| SCHEMBL7865387 | 0.87 | HTR1A (0.39) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| SCHEMBL7873044 | 0.86 | HTR1A (0.38) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| Bromide SCHEMBL7872610 | 0.86 | SNCA (0.41) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL7874564 | 0.86 | HTR1A (0.40) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| Water SCHEMBL4390663 | 0.86 | HTR1A (0.40) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| Phenol SCHEMBL7877228 | 0.83 | HTR1A (0.37) | MRGPRX4POLBSNCAGLAL3MBTL1 | |
| Benzoic Acid SCHEMBL7874754 | 0.81 | MRGPRX4 (0.44) | MRGPRX4POLBGLAL3MBTL1ALDH1A1 | |
| Benzoic Acid SCHEMBL3838933 | 0.80 | SNCA (0.61) | POLBSNCAALDH1A1CA2CA4 | |
| Benzoic Acid SCHEMBL7874733 | 0.72 | CA2 (0.57) | SNCAALDH1A1KMT2ARAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |