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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | CTSG | P08311 | 3/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.39 |
| ▸ | CMA1 | P23946 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSH | P09668 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 SCHEMBL955979 | 0.84 | CA2 (0.55) | CA2CA4CES2CES1PRSS1 | |
| Phenol SCHEMBL10556722 | 0.81 | ALDH1A1 (0.34) | CA2ALDH1A1POLBCTSKCTSL | |
| Benzoic Acid SCHEMBL28696691 | 0.81 | CA2 (0.52) | CA2CA4CES2CES1PRSS1 | |
| Acetic Acid SCHEMBL1685237 | 0.81 | CA1 (0.40) | CA2MAPK1CYP3A4 | |
| Benzoic Acid SCHEMBL18684847 | 0.78 | CES2 (0.54) | CA2CA4CES2CES1PRSS1 | |
| Terephthalic Acid SCHEMBL6632223 | 0.76 | BDKRB2 (0.49) | CA2 | |
| SCHEMBL30679254 | 0.75 | DNM1 (0.44) | CA2ALDH1A1 | |
| Benzoic Acid SCHEMBL8725785 | 0.75 | CES2 (0.54) | CA2CA4CES2CES1PRSS1 | |
| Benzoic Acid SCHEMBL1036838 | 0.74 | CA2 (0.59) | CA2CA4CES2CES1LMNA | |
| Benzoic Acid SCHEMBL14840169 | 0.74 | CES2 (0.53) | CA2CA4CES2CES1PRSS1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6844388-B2 | Fluoropolymer compositions containing a nitrogen cure site monomer | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-01-18 | — | — | US | claimed |
| EP-1379565-B1 | FLUOROPOLYMER COMPOSITIONS | 3M INNOVATIVE PROPERTIES CO (US) | 2011-04-06 | — | — | EP | disclosed |
| US-20050154145-A1 | Fluoropolymer compositions | 3M INNOVATIVE PROPERTIES COMPANY | 2005-07-14 | — | — | US | disclosed |
| US-6890995-B2 | Fluoropolymer compositions | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-05-10 | — | — | US | disclosed |
| US-6844388-B2 | Fluoropolymer compositions containing a nitrogen cure site monomer | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-01-18 | — | — | US | disclosed |
| EP-1379565-A1 | FLUOROPOLYMER COMPOSITIONS | 3M Innovative Properties Company (US) | 2004-01-14 | — | — | EP | disclosed |
| EP-1366094-A1 | FLUOROPOLYMER COMPOSITIONS | 3M Innovative Properties Company (US) | 2003-12-03 | — | — | EP | disclosed |
| US-20020177666-A1 | Fluoropolymer compositions | 3M INNOVATIVE PROPERTIES COMPANY | 2002-11-28 | — | — | US | disclosed |
| WO-2002083756-A1 | FLUOROPOLYMER COMPOSITIONS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2002-10-24 | — | — | WO | disclosed |
| US-20020145228-A1 | Fluoropolymer compositions | 3M INNOVATIVE PROPERTIES COMPANY | 2002-10-10 | — | — | US | disclosed |
| WO-2002060969-A1 | FLUOROPOLYMER COMPOSITIONS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |