Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 11/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 11/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780266 | 0.85 | GABRA1 (0.42) | CYP3A4HDAC4HDAC2HDAC8MEN1 | |
| SCHEMBL1371629 | 0.81 | KIF11 (0.38) | HDAC4HDAC2HDAC8KIF11RXRA | |
| SCHEMBL6061090 | 0.81 | HSD17B1 (0.52) | HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9599515 | 0.81 | PGR (0.38) | KIF11RXRARXRB | |
| SCHEMBL9598597 | 0.78 | DYRK1A (0.41) | CYP3A4CYP2C9HDAC4HDAC8ALDH1A1 | |
| SCHEMBL9598451 | 0.78 | RXRA (0.42) | HSD17B2KIF11RXRARXRBALDH1A1 | |
| SCHEMBL4279134 | 0.78 | ACHE (0.50) | HSD17B1HSD17B2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL15394543 | 0.77 | KIF11 (0.58) | HSD17B1HSD17B2CYP3A4CYP2C9OPRD1 | |
| SCHEMBL15067852 | 0.76 | ALDH1A1 (0.39) | CYP3A4HDAC4HDAC2HDAC8KIF11 | |
| SCHEMBL29024382 | 0.75 | RXRB (0.38) | KIF11RXRARXRBMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5190958-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1993-03-02 | — | — | US | disclosed |