Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 16/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27918228 | 0.86 | HSD17B10 (0.51) | GPBAR1HSD17B10MAPTTP53CYP3A4 | |
| SCHEMBL27936754 | 0.82 | HSD17B10 (0.59) | GPBAR1HSD17B10MAPTTP53CYP3A4 | |
| SCHEMBL899822 | 0.78 | ALDH1A1 (0.58) | GPBAR1HSD17B10MAPTTP53SMN1; SMN2 | |
| SCHEMBL899442 | 0.77 | MAPT (0.55) | GPBAR1HSD17B10MAPTTP53CYP3A4 | |
| SCHEMBL899864 | 0.76 | HSD17B10 (0.52) | GPBAR1HSD17B10MAPTTP53CYP2C19 | |
| SCHEMBL28806449 | 0.73 | NR1H4 (0.55) | GPBAR1HSD17B10MAPTCYP2C19HPGD | |
| SCHEMBL27918231 | 0.73 | GPBAR1 (0.42) | GPBAR1MAPTTP53 | |
| SCHEMBL5243618 | 0.71 | HSD17B10 (0.59) | GPBAR1HSD17B10MAPTTP53CYP2C19 | |
| SCHEMBL9533615 | 0.71 | HSD17B10 (0.59) | GPBAR1HSD17B10MAPTTP53CYP2C19 | |
| SCHEMBL27936772 | 0.70 | GPBAR1 (0.45) | GPBAR1SMN1; SMN2 |
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 |