Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 5/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL1891302 | 0.85 | PPARG (0.65) | PPARGAGTR1AGTR2ACHE | |
| SCHEMBL4013011 | 0.84 | AGTR1 (0.55) | PPARGAGTR1 | |
| SCHEMBL9843913 | 0.83 | PPARG (0.60) | PPARGAGTR1AGTR2ACHE | |
| SCHEMBL4008165 | 0.83 | PPARG (0.54) | PPARGAGTR1AGTR2CNR2ACHE | |
| SCHEMBL1888987 | 0.82 | PPARG (0.61) | PPARGACHE | |
| SCHEMBL9844295 | 0.81 | PPARG (0.51) | PPARGAGTR1AGTR2ACHE | |
| SCHEMBL4011935 | 0.81 | PPARG (0.55) | PPARGAGTR1AGTR2CNR2ACHE | |
| SCHEMBL1895387 | 0.80 | PPARG (0.66) | PPARGAGTR1AGTR2ACHE | |
| SCHEMBL1890906 | 0.80 | PPARG (0.54) | PPARGAGTR1AGTR2CNR2ACHE | |
| SCHEMBL1888053 | 0.80 | PPARG (0.57) | PPARGAGTR1AGTR2ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |