Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | AR | P10275 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23638424 | 1.00 | PGR (0.67) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL19625822 | 1.00 | PGR (0.67) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL29891105 | 0.94 | PGR (0.64) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL19625877 | 0.89 | PGR (0.64) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL23514168 | 0.89 | PGR (0.64) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL21367233 | 0.89 | PGR (0.64) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL23638374 | 0.89 | PGR (0.64) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL19628769 | 0.89 | PGR (0.66) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL8396014 | 0.89 | PGR (0.66) | PGRCYP3A4ALDH1A1CYP2C19AR | |
| SCHEMBL11326826 | 0.89 | PGR (0.66) | PGRCYP3A4ALDH1A1CYP2C19AR |
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-2017199033-A1 | INTERMEDIATES FOR THE SYNTHESIS OF BILE ACID DERIVATIVES, IN PARTICULAR OF OBETICHOLIC ACID | NZP UK Limited (GB) | 2017-11-23 | — | — | WO | disclosed |