Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4554652 | 0.94 | GABRA1 (0.36) | NPY5RGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL4554438 | 0.88 | MAPK8 (0.35) | GALR3CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL4553762 | 0.86 | AGTR2 (0.37) | AGTR2MCL1 | |
| SCHEMBL963617 | 0.86 | FBP1 (0.39) | NPY5RTP53RAB9AF10 | |
| SCHEMBL5115435 | 0.86 | KMO (0.38) | GALR3CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL4555122 | 0.83 | MAPK8 (0.37) | GALR3CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL966058 | 0.80 | TP53 (0.38) | CYP1A2CYP3A4CYP2C19SMN1; SMN2MCL1 | |
| SCHEMBL4553444 | 0.80 | SMN1; SMN2 (0.44) | GALR3CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL4553883 | 0.80 | SMN1; SMN2 (0.33) | GALR3CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL963748 | 0.80 | FBP1 (0.39) | NPY5RMCL1TP53RAB9A |
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-2118066-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | Takeda Pharmaceutical Company Limited (JP) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008099794-A1 | FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-08-21 | — | — | WO | disclosed |