Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 13/20 | 0.40 |
| ▸ | LY96 | Q9Y6Y9 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL12762845 | 0.92 | MAPK1 (0.38) | TLR4LY96MAPK1TSHRCNR1 | |
| SCHEMBL12762837 | 0.92 | MAPK1 (0.38) | TLR4LY96MAPK1TSHRCNR1 | |
| SCHEMBL12762857 | 0.92 | TLR4 (0.40) | TLR4LY96MAPK1TSHRCNR1 | |
| SCHEMBL4196718 | 0.91 | TLR4 (0.40) | TLR4LY96MAPK1TSHR | |
| SCHEMBL4196722 | 0.91 | TLR4 (0.40) | TLR4LY96MAPK1TSHR | |
| SCHEMBL10042142 | 0.88 | TLR4 (0.43) | TLR4LY96MAPK1 | |
| SCHEMBL12560769 | 0.88 | TLR4 (0.43) | TLR4LY96MAPK1 | |
| SCHEMBL14071681 | 0.88 | TLR4 (0.43) | TLR4LY96MAPK1 | |
| SCHEMBL12762935 | 0.88 | TLR4 (0.43) | TLR4LY96MAPK1 | |
| SCHEMBL10071016 | 0.88 | TLR4 (0.43) | TLR4LY96MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906633-B2 | Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-15 | — | — | US | disclosed |