Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.55 |
| ▸ | PPARD | Q03181 | 4/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918230 | 0.83 | PPARD (0.50) | NR1H4PPARDNR4A2CYP2C19ALDH1A1 | |
| SCHEMBL899864 | 0.80 | HSD17B10 (0.52) | CYP2C19ALDH1A1HSD17B10GPBAR1MAPT | |
| SCHEMBL27936756 | 0.80 | CYP2C19 (0.60) | NR1H4PPARDCYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL27910279 | 0.76 | NR1H4 (0.41) | NR1H4PPARDALDH1A1KDM4EHSD17B10 | |
| SCHEMBL28806448 | 0.73 | GPBAR1 (0.47) | CYP2C19HSD17B10GPBAR1MAPTHPGD | |
| SCHEMBL899822 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4EHSD17B10GPBAR1MAPT | |
| SCHEMBL899442 | 0.73 | MAPT (0.55) | CYP2C19ALDH1A1KDM4EHSD17B10GPBAR1 | |
| SCHEMBL5774888 | 0.70 | CYP2C19 (0.58) | NR1H4PPARDNR4A2CYP2C19ALDH1A1 | |
| SCHEMBL27918233 | 0.69 | NPC1 (0.41) | NR1H4PPARDGPBAR1LMNAL3MBTL1 | |
| SCHEMBL12694218 | 0.69 | EPAS1 (0.60) | ALDH1A1KDM4ELMNA |
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-103209977-A | Novel piperazine analogs with substituted heteroaryl groups as broad-spectrum influenza antivirals | BRISTOL MYERS SQUIBB CO | 2013-07-17 | — | — | CN | disclosed |