Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | TLR4 | O00206 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.43 |
| ▸ | CBFB | Q13951 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8509359 | 0.94 | CHRM5 (0.52) | CHRM5GRM5TLR4TLR2DRD1 | |
| SCHEMBL29612417 | 0.86 | TLR4 (0.56) | GRM5TLR4TLR2DRD1FFAR4 | |
| SCHEMBL12129555 | 0.86 | TLR4 (0.56) | GRM5TLR4TLR2DRD1FFAR4 | |
| SCHEMBL28432131 | 0.85 | CHRM5 (0.53) | CHRM5DRD1RUNX1CBFBBLM | |
| SCHEMBL15602369 | 0.84 | TLR4 (0.55) | GRM5TLR4TLR2DRD1FFAR4 | |
| SCHEMBL8509396 | 0.83 | F10 (0.47) | CHRM5GRM5KDRCETPABL1 | |
| SCHEMBL6562606 | 0.81 | L3MBTL1 (0.58) | TLR4TLR2DRD1MAPK1KDM4E | |
| SCHEMBL30002051 | 0.81 | L3MBTL1 (0.58) | TLR4TLR2DRD1MAPK1KDM4E | |
| SCHEMBL22061563 | 0.78 | KDM4E (0.48) | GRM5TLR4TLR2DRD1FFAR4 | |
| SCHEMBL18984715 | 0.78 | MAP4K4 (0.50) | GRM5TLR4TLR2DRD1FFAR4 |
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-1957495-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064045-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-06-07 | — | — | WO | disclosed |