Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23005638 | 0.92 | AAK1 (0.42) | AAK1CHEK2CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL23005558 | 0.91 | AAK1 (0.43) | AAK1CHEK2CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL23005684 | 0.84 | AAK1 (0.36) | AAK1IDO1HSD17B10GRIN2BGRIN1 | |
| SCHEMBL23005795 | 0.80 | OPRM1 (0.35) | HSD17B10F2MAPTF10PLG | |
| SCHEMBL23005732 | 0.79 | OPRM1 (0.35) | IDO1HSD17B10GRIN2BF2MAPT | |
| SCHEMBL23005797 | 0.77 | OPRM1 (0.35) | HSD17B10F2F10PLGPRSS1 | |
| SCHEMBL23005801 | 0.77 | HSD17B10 (0.51) | AAK1CHEK2CYP2D6CYP2C9IDO1 | |
| SCHEMBL23005681 | 0.76 | AAK1 (0.47) | AAK1CHEK2CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL23005553 | 0.76 | AAK1 (0.47) | AAK1CHEK2CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL13435561 | 0.71 | AAK1 (0.63) | AAK1CYP2D6CYP2C9CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021027724-A1 | IMMUNOMODULATOR | 成都先导药物开发股份有限公司 | 2021-02-18 | — | — | WO | disclosed |