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 | |
|---|---|---|---|---|
| ▸ | HNF4A | P41235 | 1/20 | 0.60 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | FABP3 | P05413 | 1/20 | 0.55 |
| ▸ | FABP4 | P15090 | 1/20 | 0.55 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL29033444 | 0.92 | CDC25B (0.61) | HNF4ABCAT2FABP3FABP4FABP5 | |
| SCHEMBL70136 | 0.92 | CDC25B (0.55) | HNF4ABCAT2TSHRDAONAPRT | |
| SCHEMBL133057 | 0.91 | HNF4A (0.69) | HNF4ABCAT2TSHRNAPRTFABP3 | |
| SCHEMBL26624744 | 0.91 | HNF4A (0.69) | HNF4ABCAT2TSHRNAPRTFABP3 | |
| Benzene SCHEMBL28480917 | 0.91 | HNF4A (0.69) | HNF4ABCAT2TSHRNAPRTFABP3 | |
| Benzene SCHEMBL1403559 | 0.91 | HNF4A (0.69) | HNF4ABCAT2TSHRNAPRTFABP3 | |
| Water SCHEMBL28312529 | 0.90 | CDC25B (0.53) | HNF4ABCAT2TSHRDAONAPRT | |
| Biphenyl SCHEMBL9292498 | 0.89 | HNF4A (0.67) | HNF4ABCAT2TSHRNAPRTFABP3 | |
| SCHEMBL7407371 | 0.89 | HNF4A (0.73) | HNF4ABCAT2TSHRFABP3FABP4 | |
| SCHEMBL17371707 | 0.89 | HNF4A (0.67) | HNF4ABCAT2TSHRNAPRTFABP3 |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012075277-A2 | SYNTHETIC METHODS | NOVOMER, INC. (US) | 2012-06-07 | — | — | WO | claimed |
| WO-2024064769-A1 | INDUCTION OF STEM-LIKE ACTIVATED T CELLS | PHIO PHARMACEUTICALS CORP. (US) | 2024-03-28 | — | — | WO | disclosed |
| EP-3149015-A1 | MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF | Memorial Sloan-Kettering Cancer Center (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2017007825-A1 | METHODS FOR TREATING NEUROLOGICAL DISORDERS USING A SYNERGISTIC SMALL MOLECULE AND NUCLEIC ACIDS THERAPEUTIC APPROACH | RXI PHARMACEUTICALS CORPORATION (US) | 2017-01-12 | — | — | WO | disclosed |
| EP-3052501-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | Agency For Science, Technology And Research (SG) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015184451-A1 | MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2015-12-03 | — | — | WO | disclosed |
| WO-2015057958-A2 | ENTEROBACTIN CONJUGATES AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-04-23 | — | — | WO | disclosed |
| WO-2015050505-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-04-09 | — | — | WO | disclosed |
| EP-2794719-A1 | METHODS FOR POLYMER SYNTHESIS | Novomer, Inc. (US) | 2014-10-29 | — | — | EP | disclosed |
| EP-2618662-A2 | SYNTHESIS OF SUBSTITUTED SALICYLALDEHYDE DERIVATIVES | Novomer, Inc. (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-1501841-A2 | NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004096285-A2 | ANTI-INFECTIVE PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| WO-2004096237-A2 | PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |
| WO-2003091264-A2 | NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| EP-1294686-A2 | INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2003-03-26 | — | — | EP | disclosed |
| US-6344154-B1 | PREPARATION OF LINEAR OR CROSS-LINKED POLYMERS OR POLYMER FILMS FOR DECORATIVE PIGMENTS, COSMETICS OR SECURITY APPLICATIONS, ACTIVE AND PASSIVE OPTICAL ELEMENTS, COLOR FILTERS, SCATTERING DISPLAYS, ADHESIVES; ANISOTROPIC | MERCK PATENT GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| WO-2001096299-A2 | INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |
| EP-0888281-B1 | REACTIVE LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2001-05-02 | — | — | EP | disclosed |
| EP-0888281-A1 | REACTIVE LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034862-A1 | REACTIVE LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GMBH (DE) | 1997-09-25 | — | — | WO | disclosed |