Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22348421 | 1.00 | CHRM1 (0.37) | CHRM1HSD17B10HSD11B1TSHRCYP2D6 | |
| SCHEMBL22347229 | 0.79 | TSHR (0.42) | CHRM1HSD17B10HSD11B1TSHRMEN1 | |
| SCHEMBL2445606 | 0.74 | NPSR1 (0.46) | CHRM1HSD11B1TSHRMEN1KMT2A | |
| SCHEMBL22354350 | 0.72 | NPSR1 (0.35) | CHRM1HSD11B1NPSR1 | |
| SCHEMBL1679811 | 0.71 | HSD11B1 (0.39) | CHRM1HSD11B1MAPK1NPSR1 | |
| SCHEMBL23744215 | 0.70 | NPSR1 (0.36) | CHRM1HSD11B1NPSR1 | |
| SCHEMBL15114116 | 0.70 | NPSR1 (0.36) | CHRM1HSD11B1NPSR1 | |
| SCHEMBL10159969 | 0.69 | CHRM1 (0.36) | CHRM1HSD11B1TSHRCYP2D6CYP2C19 | |
| SCHEMBL2451039 | 0.68 | NPSR1 (0.46) | CHRM1HSD11B1MEN1KMT2AALDH1A1 | |
| SCHEMBL24979531 | 0.68 | CYP3A4 (0.35) | CYP2C19ALDH1A1HPGDNPSR1 |
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 |