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 | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.78 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.48 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.48 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.48 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL27842182 | 0.92 | PKM (0.78) | PKMPOLBALDH1A1L3MBTL1CACNA1B | |
| 3-Hydroxybenzoic Acid SCHEMBL27859908 | 0.90 | PKM (0.70) | PKMPOLBALDH1A1L3MBTL1KDM5A | |
| Benzoic Acid SCHEMBL27475107 | 0.89 | PKM (0.60) | PKMPOLBALDH1A1L3MBTL1KDM5A | |
| Phenol SCHEMBL27593879 | 0.89 | PKM (0.82) | PKMPOLBALDH1A1L3MBTL1KMT2A | |
| SCHEMBL27290132 | 0.88 | PKM (1.00) | PKMPOLBALDH1A1L3MBTL1KMT2A | |
| SCHEMBL28852845 | 0.87 | PKM (0.67) | PKMPOLBALDH1A1KDM5AKDM4D | |
| 3-Aminobenzoic Acid SCHEMBL27857166 | 0.87 | PKM (0.67) | PKMPOLBALDH1A1L3MBTL1KDM5A | |
| SCHEMBL28229400 | 0.87 | PKM (0.67) | PKMPOLBALDH1A1KDM5AKDM4D | |
| Toluene SCHEMBL28309355 | 0.87 | PKM (0.80) | PKMPOLBALDH1A1L3MBTL1KMT2A | |
| Propiophenone SCHEMBL27744182 | 0.87 | PKM (0.70) | PKMPOLBALDH1A1L3MBTL1CACNA1B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103319483-A | Preparation method of important intermediate of linagliptin | 2Y CHEM LTD | 2013-09-25 | — | — | CN | claimed |
| CN-102256976-A | Salt Forms of Organic Compounds | BOEHRINGER INGELHEIM INT | 2011-11-23 | — | — | CN | claimed |
| CN-104024244-A | Heterocyclic compounds, medicaments containing said compounds, their use and processes for their preparation | BOEHRINGER INGELHEIM INT | 2014-09-03 | — | — | CN | disclosed |
| CN-103402987-A | 6-Amino-2-phenylamino-1H-benzimidazole-5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors | BOEHRINGER INGELHEIM INT | 2013-11-20 | — | — | CN | disclosed |
| CN-103319483-A | Preparation method of important intermediate of linagliptin | 2Y CHEM LTD | 2013-09-25 | — | — | CN | disclosed |
| CN-101389628-B | Indolopyridines as EG5 kinesin modulators | 4SC AG | 2013-02-27 | — | — | CN | disclosed |
| CN-102933579-A | New ccr2 receptor antagonists and uses thereof | BOEHRINGER INGELHEIM INT | 2013-02-13 | — | — | CN | disclosed |
| CN-102256976-A | Salt Forms of Organic Compounds | BOEHRINGER INGELHEIM INT | 2011-11-23 | — | — | CN | disclosed |
| CN-1759118-B | Diazepinoindole derivatives as kinase inhibitors | PFIZER | 2010-12-08 | — | — | CN | disclosed |
| CN-101389628-A | Indolopyridines as EG5 kinesin modulators | 4SC AG (DE) | 2009-03-18 | — | — | CN | disclosed |
| CN-101389629-A | Indolopyridines as EG5 kinesin modulators | 4SC AG (DE) | 2009-03-18 | — | — | CN | disclosed |
| CN-1759118-A | Diazepinoindole derivatives as kinase inhibitors | PFIZER (US) | 2006-04-12 | — | — | CN | disclosed |