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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzophenone SCHEMBL27478018 | 0.92 | ALDH1A1 (0.65) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Acetophenone SCHEMBL27842181 | 0.92 | KMT2A (0.54) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Benzene SCHEMBL28089344 | 0.91 | KMT2A (0.64) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Benzamide SCHEMBL27277569 | 0.90 | KMT2A (0.53) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Benzoyl Chloride SCHEMBL27854207 | 0.89 | KMT2A (0.51) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| SCHEMBL27290130 | 0.88 | KMT2A (0.68) | KMT2AALDH1A1L3MBTL1NAPRTHSD17B10 | |
| Phenol SCHEMBL27593878 | 0.87 | KMT2A (0.55) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Toluene SCHEMBL28309354 | 0.87 | KMT2A (0.55) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| SCHEMBL27592249 | 0.87 | KMT2A (0.49) | KMT2AALDH1A1L3MBTL1CACNA1BAPBA1 | |
| Water SCHEMBL28269550 | 0.87 | KMT2A (0.66) | KMT2AALDH1A1L3MBTL1NAPRTHSD17B10 |
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 13 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-101389629-A | Indolopyridines as EG5 kinesin modulators | 4SC AG (DE) | 2009-03-18 | — | — | CN | disclosed |
| CN-101389628-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 |
| CN-1135333-A | Usage of SRCSH2 specific compound for treatment of bone absorption disease | SMITHKLINE BEECHAM CORP (US) | 1996-11-13 | — | — | CN | disclosed |