Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.66 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | CASP2 | P42575 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.51 |
| ▸ | FEN1 | P39748 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30100988 | 0.81 | CASP3 (0.50) | GSK3BCASP3CASP2ALDH1A1NPC1 | |
| SCHEMBL230036 | 0.80 | — | — | |
| SCHEMBL711360 | 0.76 | RAB9A (0.75) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL11084699 | 0.75 | ALDH1A1 (0.62) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL15974627 | 0.75 | ALDH1A1 (0.62) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL11085456 | 0.75 | RAB9A (0.64) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL6771140 | 0.75 | ALDH1A1 (0.67) | GSK3BCASP3CASP2ALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL15974201 | 0.74 | ALDH1A1 (0.60) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL960143 | 0.73 | ALDH1A1 (0.77) | GSK3BALDH1A1NPC1RAB9APOLB | |
| SCHEMBL8505274 | 0.72 | ALDH1A1 (0.58) | GSK3BALDH1A1NPC1RAB9APOLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1270571-B1 | Heterocyclic compounds, their production and use | TAKEDA PHARMACEUTICAL (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1270571-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-01-02 | — | — | EP | disclosed |
| US-6211215-B1 | AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| EP-0912562-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998003505-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |