Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 10/20 | 0.51 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.48 |
| ▸ | IDH2 | P48735 | 1/20 | 0.48 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3123764 | 0.83 | TGFBR1 (0.49) | TGFBR1GPR119IDH1IDH2SFRP1 | |
| SCHEMBL3042967 | 0.82 | IDH1 (0.52) | TGFBR1GPR119IDH1IDH2SFRP1 | |
| SCHEMBL3036171 | 0.82 | IDH1 (0.50) | TGFBR1GPR119IDH1IDH2STS | |
| SCHEMBL8444728 | 0.82 | KDM4E (0.58) | TGFBR1GPR119STS | |
| SCHEMBL3138251 | 0.79 | IDH1 (0.49) | TGFBR1GPR119IDH1IDH2SFRP1 | |
| SCHEMBL2384682 | 0.78 | TGFBR1 (0.52) | TGFBR1GPR119STS | |
| SCHEMBL27158820 | 0.78 | IDH1 (0.52) | TGFBR1GPR119IDH1IDH2 | |
| SCHEMBL7607099 | 0.78 | GPR119 (0.57) | GPR119STS | |
| SCHEMBL21607890 | 0.77 | IDH1 (0.49) | TGFBR1GPR119IDH1IDH2 | |
| SCHEMBL28978030 | 0.76 | GPR119 (0.58) | TGFBR1GPR119STS |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205083-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |