Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Lithocholic 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 | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.72 |
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.92 |
| ▸ | EPHA2 | P29317 | 4/20 | 0.92 |
| ▸ | CASP7 | P55210 | 3/20 | 0.92 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.92 |
| ▸ | VDR | P11473 | 3/20 | 0.92 |
| ▸ | TP53 | P04637 | 2/20 | 0.92 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.92 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.92 |
| ▸ | BLM | P54132 | 2/20 | 0.92 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.92 |
| ▸ | USP2 | O75604 | 2/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.92 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.92 |
| ▸ | LMNA | P02545 | 2/20 | 0.92 |
| ▸ | MDM4 | O15151 | 1/20 | 0.92 |
| ▸ | MAPT | P10636 | 1/20 | 0.92 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.92 |
| ▸ | TSHR | P16473 | 1/20 | 0.92 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.92 |
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 | |
|---|---|---|---|---|
| Lithocholic Acid SCHEMBL14829782 | 1.00 | GPBAR1 (0.92) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22894393 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22894445 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22894425 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL24567422 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL24001494 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL23923735 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL24001453 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22479406 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR | |
| Lithocholic Acid SCHEMBL22079173 | 0.96 | GPBAR1 (1.00) | GPBAR1EPHA2CASP7HIF1AVDR |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | claimed |
| EP-3423099-B1 | USE OF BILE ACIDS AND BILE SALTS AS ANTI BACTERIAL AGENTS FOR INHIBITION OF BACTERIAL CONJUGATION AND HORIZONTAL GENE TRANSFER | TEL HASHOMER MEDICAL RES INFRASTRUCTURE & SERVICES LTD (IL) | 2023-11-15 | — | — | EP | disclosed |
| EP-3575793-B1 | A METHOD OF DIAGNOSING CANCER BASED ON LIPIDOMIC ANALYSIS OF A BODY FLUID | FONS JK GROUP A S (CZ) | 2023-07-19 | — | — | EP | disclosed |
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | disclosed |
| CN-114636774-A | Biological metabolism marker composition for predicting risk of juvenile hypertension | 苏州市疾病预防控制中心 | 2022-06-17 | — | — | CN | disclosed |
| US-11154559-B2 | Methods and compositions of bile acids | ETHICON ENDO-SURGERY, INC. (US) | 2021-10-26 | — | — | US | disclosed |
| US-11077123-B2 | Use of bile acids and bile salts as anti bacterial agents for inhibition of bacterial conjugation and horizontal gene transfer | TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) | 2021-08-03 | — | — | US | disclosed |
| US-20200363419-A1 | A METHOD OF DIAGNOSING CANCER BASED ON LIPIDOMIC ANALYSIS OF A BODY FLUID | UNIVERZITA PARDUBICE (CZ) | 2020-11-19 | — | — | US | disclosed |
| US-20190070200-A1 | USE OF BILE ACIDS AND BILE SALTS AS ANTI BACTERIAL AGENTS FOR INHIBITION OF BACTERIAL CONJUGATION AND HORIZONTAL GENE TRANSFER | TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL) | 2019-03-07 | — | — | US | disclosed |
| EP-3423099-A1 | USE OF BILE ACIDS AND BILE SALTS AS ANTI BACTERIAL AGENTS FOR INHIBITION OF BACTERIAL CONJUGATION AND HORIZONTAL GENE TRANSFER | Tel HaShomer Medical Research Infrastructure and Services Ltd. (IL) | 2019-01-09 | — | — | EP | disclosed |
| EP-2279417-B1 | METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF | GEORGIA TECH RES INST (US) | 2016-07-20 | — | — | EP | disclosed |
| US-20130116218-A1 | METHODS AND COMPOSITIONS OF BILE ACIDS | ETHICON ENDO-SURGERY, INC. (US) | 2013-05-09 | — | — | US | disclosed |
| WO-2013049595-A1 | METHODS AND COMPOSITIONS OF BILE ACIDS | ETHICON ENDO-SURGERY, INC. (US) | 2013-04-04 | — | — | WO | disclosed |
| US-20120004854-A1 | METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF | GEORGIA TECH RESEARCH CORPORATION | 2012-01-05 | — | — | US | disclosed |
| EP-2279417-A1 | METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF | Georgia Tech Research Corporation (US) | 2011-02-02 | — | — | EP | disclosed |
| WO-2009151967-A1 | METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-12-17 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130116218-A1 | METHODS AND COMPOSITIONS OF BILE ACIDS | NR1H4, SLC10A2, GPBAR1 | PDE3A 690/4885GPBAR1 3/4885EPHA2 110/4885 |
| US-11154559-B2 | Methods and compositions of bile acids | NR1H4, SLC10A2, GPBAR1 | PDE3A 690/4885GPBAR1 3/4885EPHA2 110/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.