Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6284163 | 0.98 | GSK3B (0.60) | GSK3BCES2CES1PTPN1KIF11 | |
| SCHEMBL7144741 | 0.86 | ALDH1A1 (0.44) | GSK3BKIF11SRD5A2HIF1ANAMPT | |
| SCHEMBL3107743 | 0.85 | GSK3B (0.64) | GSK3BCES2CES1PTPN1SRD5A2 | |
| Bromide SCHEMBL6280874 | 0.84 | ALDH1A1 (0.43) | GSK3BKIF11SRD5A2HIF1ANAMPT | |
| SCHEMBL6500852 | 0.84 | CES2 (0.56) | GSK3BCES2SRD5A2TLR7 | |
| SCHEMBL4470958 | 0.83 | LTA4H (0.55) | GSK3BCES2CES1PTPN1 | |
| Bromide SCHEMBL6282484 | 0.83 | CES2 (0.55) | GSK3BCES2SRD5A2TLR7 | |
| SCHEMBL10465540 | 0.82 | GSK3B (0.59) | GSK3BCES2CES1PTPN1SRD5A2 | |
| Bromide SCHEMBL2795481 | 0.82 | LTA4H (0.53) | GSK3BCES2CES1PTPN1 | |
| SCHEMBL7147113 | 0.82 | NPC1 (0.44) | GSK3BTLR7NAMPTEPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620825-B1 | 1,3-Azole compound substituted by pyridyl; administering as antiasthmatic, antiinflammatory or antiallergen agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| US-6436966-B1 | Adenosine A3 receptor antagonists | TAKEDA CHEMICAL IND., LTD. (JP) | 2002-08-20 | — | — | US | disclosed |