Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 4/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | RPA1 | P27694 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2323117 | 0.93 | HCAR3 (0.42) | HCAR3HCAR2POLBESR1ALDH1A1 | |
| SCHEMBL2317826 | 0.91 | HCAR3 (0.43) | HCAR3HCAR2POLBESR1ALDH1A1 | |
| SCHEMBL23214031 | 0.80 | PLAT (0.40) | POLBALDH1A1PLAT | |
| SCHEMBL20944275 | 0.76 | KMT2A (0.47) | POLB | |
| SCHEMBL26643742 | 0.74 | HCAR3 (0.41) | HCAR3HCAR2POLBESR1CFTR | |
| SCHEMBL18939556 | 0.74 | HCAR3 (0.41) | HCAR3HCAR2POLBESR1ALDH1A1 | |
| SCHEMBL21383995 | 0.73 | SMN1; SMN2 (0.39) | HCAR3HCAR2ALDH1A1CFTR | |
| SCHEMBL24208422 | 0.73 | HCAR3 (0.43) | HCAR3ALDH1A1NOTUMCFTR | |
| SCHEMBL22506681 | 0.72 | RPA1 (0.54) | RPA1 | |
| SCHEMBL27847371 | 0.71 | HCAR3 (0.42) | HCAR3HCAR2POLBALDH1A1CFTR |
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-3704112-A1 | ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3704113-A1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | Bristol-Myers Squibb Company (US) | 2020-09-09 | — | — | EP | disclosed |