Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 5/20 | 0.73 |
| ▸ | CASP7 | P55210 | 3/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.73 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.73 |
| ▸ | TP53 | P04637 | 2/20 | 0.73 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.73 |
| ▸ | BLM | P54132 | 2/20 | 0.73 |
| ▸ | USP2 | O75604 | 2/20 | 0.73 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.73 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.73 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | MDM4 | O15151 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.73 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL22855456 | 0.90 | VDR (0.70) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL18575957 | 0.89 | VDR (0.69) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL18575958 | 0.89 | VDR (0.69) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL25705962 | 0.89 | VDR (0.74) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL21206235 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL18541412 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL12279967 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL9580404 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL2553921 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 | |
| SCHEMBL18541463 | 0.88 | BCHE (0.68) | VDRCASP7HSD17B10GPBAR1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020260558-A1 | 3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES | PHENEX PHARMACEUTICALS AG (DE) | 2020-12-30 | — | — | WO | disclosed |