Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2887306 | 1.00 | ESR2 (0.41) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2891087 | 1.00 | ESR2 (0.41) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2883178 | 0.90 | ESR2 (0.40) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2889334 | 0.90 | ESR2 (0.44) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2889076 | 0.88 | ESR2 (0.42) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2888817 | 0.88 | ESR2 (0.42) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2883639 | 0.88 | ESR2 (0.42) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2883650 | 0.88 | ESR2 (0.42) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2887295 | 0.85 | ESR2 (0.44) | ESR2NR1H2MAPK1MTORPIK3CA | |
| SCHEMBL2886944 | 0.85 | ACACB (0.42) | ESR2NR1H2MAPK1MTORPIK3CA |
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-2213675-B1 | PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2013-08-14 | — | — | EP | disclosed |
| EP-2213675-A1 | PYRIDOOXAZEPINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-08-04 | — | — | EP | disclosed |