Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CISD2 | Q8N5K1 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4077018 | 0.78 | NQO2 (0.38) | KDM4EALDH1A1HPGDGAAGABRA1 | |
| SCHEMBL18306146 | 0.75 | ADORA2A (0.49) | KDM4EPOLBALDH1A1HPGDNPSR1 | |
| SCHEMBL8532411 | 0.69 | KDM4E (0.45) | KDM4EPOLBALDH1A1HPGDGAA | |
| SCHEMBL4403769 | 0.69 | LMNA (0.49) | ALDH1A1HPGDKMT2AHTTLMNA | |
| SCHEMBL1144821 | 0.69 | CNR2 (0.49) | KDM4EHPGDMAPK1KMT2AHTT | |
| SCHEMBL26046787 | 0.68 | POLB (0.45) | KDM4EPOLBALDH1A1HPGDGAA | |
| SCHEMBL1144834 | 0.68 | HSD17B2 (0.49) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL14384290 | 0.67 | KDM4E (0.53) | KDM4EPOLBALDH1A1HPGDGAA | |
| SCHEMBL1145139 | 0.67 | AR (0.43) | KDM4EPOLBALDH1A1HPGDGAA | |
| SCHEMBL18308520 | 0.67 | S100B (0.39) | KDM4EPOLBALDH1A1HPGDGAA |
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-2016199943-A1 | HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-12-15 | — | — | WO | disclosed |