Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11316788 | 0.90 | — | — | |
| Pyrrolidine SCHEMBL28239962 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CA2CHKAKDM4E | |
| SCHEMBL224305 | 0.82 | — | — | |
| SCHEMBL519409 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CA2CHKAKDM4E | |
| SCHEMBL518594 | 0.74 | CXCR4 (0.37) | ALDH1A1HSD17B10CA2CHKAKDM4E | |
| SCHEMBL20055722 | 0.73 | HSD17B10 (0.52) | ALDH1A1HSD17B10CA2KDM4E | |
| SCHEMBL2638 | 0.73 | — | — | |
| SCHEMBL518261 | 0.73 | HSD17B10 (0.52) | ALDH1A1HSD17B10CA2KDM4E | |
| SCHEMBL463775 | 0.73 | HSD17B10 (0.52) | ALDH1A1HSD17B10CA2KDM4E | |
| SCHEMBL1521924 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |
| EP-2323978-A1 | AMIDE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010018874-A1 | AMIDE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-02-18 | — | — | WO | disclosed |
| EP-1761539-A1 | INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER | Takeda Pharmaceutical Company Limited (JP) | 2007-03-14 | — | — | EP | disclosed |
| WO-2005118587-A1 | INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-12-15 | — | — | WO | disclosed |