Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3132048 | 0.82 | CA12 (0.35) | HSD17B10GAALMNAPKMCASP3 | |
| SCHEMBL3559325 | 0.79 | MAPK1 (0.40) | HSD17B10GAALMNACA12CA9 | |
| SCHEMBL13315704 | 0.78 | PDK4 (0.41) | PKM | |
| SCHEMBL3126790 | 0.77 | ALDH1A1 (0.35) | HSD17B10GAALMNAPKMACHE | |
| SCHEMBL3135732 | 0.77 | ALDH1A1 (0.35) | HSD17B10GAALMNAPKMACHE | |
| Trifluoroacetic Acid SCHEMBL3135672 | 0.72 | KEAP1 (0.36) | CASP3CA12CA9KMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL3135667 | 0.72 | KEAP1 (0.36) | CASP3CA12CA9KMT2AMEN1 | |
| SCHEMBL3138673 | 0.70 | ALDH1A1 (0.44) | HSD17B10GAALMNAACHEMAPK1 | |
| SCHEMBL13349422 | 0.69 | PDK4 (0.41) | HSD17B10PKM | |
| SCHEMBL3556756 | 0.69 | MAPK1 (0.40) | HSD17B10GAALMNACA12CA9 |
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-2010056633-A2 | 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES | JANSSEN PHARMACEUTICA NV (BE) | 2010-05-20 | — | — | WO | disclosed |