Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27444382 | 0.76 | HSD11B1 (0.30) | — | |
| SCHEMBL19189061 | 0.76 | SLC6A12 (0.34) | TSHRNPSR1MAPT | |
| SCHEMBL23329861 | 0.75 | CYP4F2 (0.33) | NPSR1MAPT | |
| SCHEMBL25074421 | 0.75 | EPHX1 (0.33) | NPSR1MAPT | |
| SCHEMBL9951753 | 0.72 | NPSR1 (0.38) | TSHRNPSR1MAPT | |
| SCHEMBL22824391 | 0.70 | KCNA3 (0.31) | — | |
| SCHEMBL14299766 | 0.70 | PKM (0.39) | — | |
| SCHEMBL3704482 | 0.68 | ALDH1A1 (0.42) | TSHRNPSR1MAPT | |
| SCHEMBL22354094 | 0.66 | HSD11B1 (0.33) | — | |
| SCHEMBL25747292 | 0.66 | GAA (0.33) | CYP2C9 |
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-2020168143-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |