Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22347663 | 0.75 | HSD11B1 (0.39) | HSD11B1ADORA2AADORA1CHRM1IDH1 | |
| SCHEMBL204803 | 0.68 | CHRM1 (0.39) | HSD11B1ADORA2AADORA1CHRM1 | |
| SCHEMBL2445606 | 0.68 | NPSR1 (0.46) | HSD11B1ADORA2AADORA1CHRM1IDH1 | |
| SCHEMBL22352801 | 0.67 | HSD11B1 (0.38) | HSD11B1ADORA2AADORA1CHRM1IDH1 | |
| SCHEMBL16635346 | 0.67 | HSD11B1 (0.38) | HSD11B1ADORA2AADORA1CHRM1IDH1 | |
| SCHEMBL14968320 | 0.67 | HSD11B1 (0.35) | HSD11B1CHRM1IDH1 | |
| SCHEMBL24892085 | 0.66 | HSD11B1 (0.37) | HSD11B1CHRM1IDH1 | |
| SCHEMBL30182368 | 0.66 | HSD11B1 (0.37) | HSD11B1CHRM1IDH1 | |
| SCHEMBL630362 | 0.65 | NPSR1 (0.43) | — | |
| SCHEMBL29574660 | 0.65 | NPSR1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3924336-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2021-12-22 | — | — | EP | disclosed |
| WO-2020168143-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-20 | — | — | WO | disclosed |