Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 7/20 | 0.92 |
| ▸ | VDR | P11473 | 5/20 | 0.92 |
| ▸ | CASP7 | P55210 | 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 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.92 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.92 |
| ▸ | MAPT | P10636 | 2/20 | 0.92 |
| ▸ | MDM4 | O15151 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.92 |
| ▸ | TSHR | P16473 | 1/20 | 0.92 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.92 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.92 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.92 |
| ▸ | HSPE1 | P61604 | 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 SCHEMBL22079173 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL21841344 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL22415871 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL24001494 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL22871939 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL23923735 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL24567422 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL24001453 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL22894445 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 | |
| Lithocholic Acid SCHEMBL22894393 | 0.96 | GPBAR1 (1.00) | GPBAR1VDRCASP7TP53MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4013399-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF LIVER DISEASE | The Provost, Fellows, Foundation Scholars, and the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) | 2022-06-22 | — | — | EP | disclosed |
| WO-2021032648-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF LIVER DISEASE | THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN (IE) | 2021-02-25 | — | — | WO | disclosed |
| WO-2015198258-A1 | DISPERSIBLE TABLET COMPRISING URSODEOXYCHOLIC ACID OR ITS SALTS | SHILPA MEDICARE LIMITED (IN) | 2015-12-30 | — | — | WO | disclosed |
| WO-2013057741-A2 | PHARMACEUTICAL COMPOSITIONS OF URSODEOXYCHOLIC ACID | GENOVO DEVELOPMENT SERVICES LIMITED (IN) | 2013-04-25 | — | — | WO | disclosed |
| US-20100239661-A1 | PHARMACEUTICAL COMPOSITIONS OF URSODIOL | CADILA HEALTHCARE LIMITED (IN) | 2010-09-23 | — | — | US | disclosed |
| WO-2008062475-A2 | PHARMACEUTICAL COMPOSITIONS OF URSODIOL | CADILA HEALTHCARE LIMITED (IN) | 2008-05-29 | — | — | 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 (1 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-20100239661-A1 | PHARMACEUTICAL COMPOSITIONS OF URSODIOL | UGT1A10, UGP2, AUP1 | GPBAR1 404/4885VDR 186/4885CASP7 3101/4885 |
“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.