Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.32 |
| ▸ | TNKS | O95271 | 2/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7257360 | 0.80 | DGAT1 (0.38) | DGAT1NR1H2NR1H3MAPK13GCGR | |
| SCHEMBL8973180 | 0.73 | NR1H2 (0.43) | ALDH1A1DGAT1NR1H2NR1H3MAPK13 | |
| SCHEMBL797826 | 0.72 | TNKS (0.40) | ALDH1A1DGAT1NR1H2NR1H3MAPK13 | |
| SCHEMBL11201971 | 0.71 | MEN1 (0.48) | ALDH1A1RAB9ASMN1; SMN2MAPTSIRT2 | |
| SCHEMBL10649161 | 0.71 | NISCH (0.36) | ALDH1A1NR1H2NR1H3GCGRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10647085 | 0.70 | NISCH (0.35) | ALDH1A1NR1H2NR1H3GCGRTYMP | |
| SCHEMBL19462221 | 0.69 | TNKS (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2TNKS | |
| SCHEMBL22165987 | 0.68 | DGAT1 (0.40) | ALDH1A1DGAT1NR1H2NR1H3MAPK13 | |
| SCHEMBL9422993 | 0.68 | RAB9A (0.41) | NPC1RAB9ATNKSTNKS2TYMP | |
| SCHEMBL13643059 | 0.68 | NR4A2 (0.47) | MAPTADORA3 |
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-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |