Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.50 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.50 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 4/20 | 0.46 |
| ▸ | THRA | P10827 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.46 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.46 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9598511 | 0.82 | ADRB2 (0.48) | ALDH1A1KMT2A | |
| SCHEMBL9598506 | 0.82 | ADRB2 (0.48) | ALDH1A1KMT2A | |
| SCHEMBL3929491 | 0.79 | S1PR1 (0.64) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL9624655 | 0.79 | S1PR1 (0.49) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL3919677 | 0.78 | S1PR1 (0.52) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL14467535 | 0.77 | THRA (0.50) | S1PR1S1PR2THRBTHRAMEN1 | |
| SCHEMBL10806773 | 0.77 | THRA (0.42) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL10807984 | 0.77 | S1PR1 (0.51) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL10808732 | 0.77 | S1PR1 (0.51) | S1PR1S1PR4S1PR5S1PR2S1PR3 | |
| SCHEMBL10807570 | 0.77 | THRA (0.42) | S1PR1S1PR4S1PR5S1PR2S1PR3 |
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-7608633-B2 | Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 | MERCKLE GMBH (DE) | 2009-10-27 | — | — | US | disclosed |