Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1424791 | 0.79 | DGAT1 (0.50) | SRCDGAT1ALDH1A1KCNN4TSHR | |
| SCHEMBL14152581 | 0.76 | DGAT1 (0.48) | SRCDGAT1ALDH1A1KCNN4TSHR | |
| SCHEMBL134110 | 0.76 | — | — | |
| SCHEMBL7019538 | 0.76 | — | — | |
| SCHEMBL8096308 | 0.74 | DGAT1 (0.46) | SRCDGAT1ALDH1A1KCNN4TSHR | |
| SCHEMBL13971383 | 0.73 | — | — | |
| SCHEMBL15139 | 0.71 | — | — | |
| SCHEMBL808799 | 0.71 | DGAT1 (0.74) | SRCDGAT1ALDH1A1KCNN4TSHR | |
| SCHEMBL4328011 | 0.71 | — | — | |
| SCHEMBL4165077 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751099-B1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA (US) | 2017-06-14 | — | — | EP | disclosed |
| WO-2013049722-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-04 | — | — | WO | disclosed |
| US-20070149755-A1 | Thermosetting powder coating composition | DAINIPPON INK AND CHEMICALS INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| EP-1698675-A1 | THERMOSETTING POWDER COATING COMPOSITION | Dainippon Ink and Chemicals, Incorporated (JP) | 2006-09-06 | — | — | EP | disclosed |