Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28540955 | 0.82 | BCL2L1 (0.44) | PTPN1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL22685161 | 0.79 | PTPN1 (0.46) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL22685172 | 0.75 | PTPN1 (0.44) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL16007009 | 0.74 | CHRM2 (0.45) | NPC1 | |
| SCHEMBL16007010 | 0.74 | CHRM2 (0.45) | NPC1 | |
| SCHEMBL22685186 | 0.74 | PTPN1 (0.48) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL17924792 | 0.74 | CYP2C19 (0.54) | CYP3A4CYP2C9HSD11B1 | |
| SCHEMBL2362049 | 0.73 | TACR3 (0.44) | NPC1HDAC1TACR3SCN9A | |
| SCHEMBL16007059 | 0.72 | KDR (0.40) | HDAC3HDAC1HDAC2HDAC6DGAT1 | |
| SCHEMBL26571653 | 0.71 | NPC1 (0.65) | NPC1RXFP1PTPN1PTPN6PTPN11 |
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-107080747-B | Glucosylceramide synthase inhibitors | 建新公司 | 2021-02-26 | — | — | CN | disclosed |