Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL445994 | 0.94 | TDP1 (0.45) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL447463 | 0.76 | CA12 (0.47) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL8907855 | 0.75 | CA12 (0.46) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL31265919 | 0.75 | ALDH1A1 (0.75) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL14532077 | 0.75 | CYP3A4 (0.45) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL19519980 | 0.74 | TDP1 (0.50) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL347685 | 0.74 | TDP1 (0.50) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL21799857 | 0.74 | ALDH1A1 (0.48) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL3241764 | 0.74 | TDP1 (0.54) | CYP3A4TDP1TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL15609308 | 0.73 | MAPT (0.38) | CYP3A4TDP1TP53ALDH1A1SMN1; 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-104926704-A | Nitrogen heterocyclic propane compound and preparation method thereof | ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-09-23 | — | — | CN | disclosed |