Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 9/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.42 |
| ▸ | ATRIP | Q8WXE1 | 5/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.41 |
| ▸ | RAF1 | P04049 | 4/20 | 0.40 |
| ▸ | BRAF | P15056 | 4/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370699 | 0.88 | PIK3CA (0.56) | PIK3CAPIK3CDMTOR | |
| SCHEMBL2370693 | 0.88 | PIK3CA (0.56) | PIK3CAPIK3CDMTOR | |
| SCHEMBL2370096 | 0.88 | PIK3CA (0.47) | ATRPDCD1CD274CHEK1ATRIP | |
| SCHEMBL2370100 | 0.88 | PIK3CA (0.47) | ATRPDCD1CD274CHEK1ATRIP | |
| SCHEMBL2370013 | 0.84 | PIK3CA (0.48) | PIK3CAPIK3CDMTORPIK3R1 | |
| SCHEMBL2370011 | 0.84 | PIK3CA (0.48) | PIK3CAPIK3CDMTORPIK3R1 | |
| SCHEMBL2370224 | 0.81 | ATR (0.47) | ATRPDCD1CD274CHEK1ATRIP | |
| SCHEMBL2369791 | 0.81 | ATR (0.47) | ATRPDCD1CD274CHEK1ATRIP | |
| SCHEMBL2370231 | 0.81 | ATR (0.47) | ATRPDCD1CD274CHEK1ATRIP | |
| SCHEMBL2369786 | 0.81 | ATR (0.47) | ATRPDCD1CD274CHEK1ATRIP |
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-2542536-A1 | MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS | Cellzome Limited (GB) | 2013-01-09 | — | — | EP | disclosed |
| WO-2011107585-A1 | MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS | CELLZOME LIMITED (GB) | 2011-09-09 | — | — | WO | disclosed |