Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 5/20 | 0.37 |
| ▸ | THRB | P10828 | 5/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 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 | |
|---|---|---|---|---|
| SCHEMBL1582596 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL1582622 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL12256272 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL1583196 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL4779552 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL12256271 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL1582904 | 0.92 | THRA (0.41) | PLA2G2ATHRATHRBNR5A1TSHR | |
| SCHEMBL1582737 | 0.88 | ALDH1A1 (0.40) | THRATHRBNR5A1ALDH1A1MAPT | |
| SCHEMBL19795478 | 0.82 | ALDH1A1 (0.37) | ALDH1A1MAPTKDM4EHTTLTA4H | |
| SCHEMBL9683848 | 0.78 | NR5A1 (0.44) | PLA2G2ATHRATHRBNR5A1TSHR |
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-105523962-A | Fluorobenzonitrile compound preparation method | DALIAN QIKAI MEDICAL TECH CO LTD | 2016-04-27 | — | — | CN | disclosed |