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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 SCHEMBL7874644 | 0.91 | L3MBTL1 (0.46) | MRGPRX4KDM4EL3MBTL1NPSR1MAPT | |
| Water SCHEMBL4390658 | 0.84 | L3MBTL1 (0.50) | KDM4EL3MBTL1NPSR1MAPTGLA | |
| Hydrochloric Acid SCHEMBL7874554 | 0.84 | L3MBTL1 (0.50) | KDM4EL3MBTL1NPSR1MAPTGLA | |
| Bromide SCHEMBL4183772 | 0.84 | L3MBTL1 (0.50) | KDM4EL3MBTL1NPSR1MAPTGLA | |
| Phenol SCHEMBL7877220 | 0.82 | L3MBTL1 (0.45) | KDM4EL3MBTL1NPSR1MAPTGLA | |
| Benzoic Acid SCHEMBL7874761 | 0.81 | MRGPRX4 (0.47) | MRGPRX4L3MBTL1NPSR1MAPTGLA | |
| SCHEMBL4383103 | 0.78 | L3MBTL1 (0.44) | KDM4EL3MBTL1NPSR1MAPTGLA | |
| Bromide SCHEMBL28669709 | 0.77 | L3MBTL1 (0.52) | L3MBTL1NPSR1MAPTMEN1KMT2A | |
| Benzoic Acid SCHEMBL7874733 | 0.75 | CA2 (0.57) | CA2CA4MEN1KMT2AALDH1A1 | |
| Benzoic Acid SCHEMBL3838933 | 0.74 | SNCA (0.61) | CA2CA4POLBALDH1A1CYP2C19 |
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 |