Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | SCD | O00767 | 1/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29904766 | 0.75 | CYP1A2 (0.60) | NOTUMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL7011881 | 0.75 | CYP1A2 (0.60) | NOTUMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL10396259 | 0.72 | NPC1 (0.44) | NOTUMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL1949784 | 0.72 | RAB9A (0.43) | ALDH1A1HSD17B10TSHRTDP1MAPK1 | |
| SCHEMBL28461573 | 0.72 | CYP3A4 (0.53) | NOTUMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5475553 | 0.72 | CASP3 (0.52) | CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL4337968 | 0.72 | NPC1 (0.45) | CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10 | |
| SCHEMBL8722639 | 0.72 | ALDH1A1 (0.46) | CYP3A4ALDH1A1HSD17B10ALOX15TDP1 | |
| SCHEMBL30584864 | 0.72 | NPC1 (0.44) | NOTUMCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL493233 | 0.71 | SMN1; SMN2 (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106916116-B | A kind of high yield contains α, the environment-friendly preparation method of the 1 of beta unsaturated ketone, 2,4- furodiazole compounds | 山东大学 | 2019-06-28 | — | — | CN | disclosed |
| CN-106916116-A | It is a kind of to contain α, the environment-friendly preparation method of the 1 of beta unsaturated ketone, 2,4 oxadiazole class compounds in high yield | 山东大学 | 2017-07-04 | — | — | CN | disclosed |