Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 4/20 | 0.41 |
| ▸ | TLR4 | O00206 | 3/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 7/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28025673 | 0.84 | NR5A1 (0.39) | THRATHRBTLR4NR5A1TP53 | |
| SCHEMBL27373651 | 0.83 | MEN1 (0.38) | THRATHRBTLR4NR5A1TP53 | |
| SCHEMBL27396143 | 0.81 | NR5A1 (0.44) | TLR4NR5A1LPAR2TP53TSHR | |
| SCHEMBL5793269 | 0.77 | THRA (0.51) | THRATHRBTLR4NR5A1S1PR2 | |
| SCHEMBL2959622 | 0.76 | CYP1A2 (0.40) | TLR4NR5A1TSHR | |
| SCHEMBL2968881 | 0.76 | THRA (0.40) | THRATHRBTLR4NR5A1TSHR | |
| SCHEMBL28393826 | 0.74 | THRA (0.53) | THRATHRBNR5A1S1PR2S1PR1 | |
| SCHEMBL2957901 | 0.74 | THRA (0.49) | THRATHRBTLR4NR5A1S1PR2 | |
| SCHEMBL2572575 | 0.74 | THRA (0.49) | THRATHRBTLR4NR5A1S1PR2 | |
| SCHEMBL9698544 | 0.74 | MEN1 (0.39) | THRATHRBNR5A1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1082028-A | 3-fluorine pyridine, its preparation method and the application in liquid crystal compound | HOECHST AG (DE) | 1994-02-16 | — | — | CN | disclosed |