Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL674285 | 0.81 | ALDH1A1 (0.46) | CES2NPC1PTPN2PTPN1PTPN6 | |
| SCHEMBL674777 | 0.81 | ALDH1A1 (0.46) | CES2NPC1PTPN2PTPN1PTPN6 | |
| SCHEMBL12324194 | 0.76 | ALDH1A1 (0.45) | CES2NPC1ALDH1A1MAPK1 | |
| SCHEMBL28528027 | 0.75 | PTPN1 (0.52) | CES2PTPN1ALDH1A1MAPK1 | |
| SCHEMBL17907537 | 0.74 | NPC1 (0.44) | NPC1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL674829 | 0.70 | ALDH1A1 (0.46) | CES2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL27764131 | 0.70 | NPC1 (0.56) | NPC1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL1114367 | 0.68 | NPC1 (0.79) | NPC1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL5708190 | 0.68 | SMN1; SMN2 (0.57) | NPC1PTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL7908561 | 0.68 | NPC1 (0.54) | NPC1PTPN2PTPN1PTPN6PTPN11 |
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-105616391-B | Method and apparatus for using isoperillyl alcohol | 尼昂克技术公司 | 2021-03-19 | — | — | CN | disclosed |