Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NT5E | P21589 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12593317 | 0.86 | GPBAR1 (0.58) | GPBAR1NT5E | |
| SCHEMBL22360569 | 0.85 | ACHE (0.44) | ACHEPTPN1USP2GPBAR1POLB | |
| SCHEMBL14049657 | 0.82 | HSD17B10 (0.49) | ACHEPTPN1USP2GPBAR1POLB | |
| SCHEMBL12828973 | 0.82 | HSD17B10 (0.49) | ACHEPTPN1USP2GPBAR1POLB | |
| SCHEMBL14083503 | 0.74 | ACHE (0.49) | ACHEPTPN1HSD11B1 | |
| SCHEMBL22360583 | 0.73 | ACHE (0.45) | ACHEGPBAR1HSD11B1 | |
| SCHEMBL10462742 | 0.72 | GPBAR1 (0.51) | GPBAR1NT5E | |
| SCHEMBL9130783 | 0.71 | GPBAR1 (0.80) | GPBAR1NT5E | |
| SCHEMBL23284121 | 0.71 | GPBAR1 (0.80) | GPBAR1NT5E | |
| SCHEMBL13814595 | 0.71 | GPBAR1 (0.80) | GPBAR1NT5E |
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-2021161206-A1 | NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2021-08-19 | — | — | WO | disclosed |