Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29171624 | 0.85 | PTPN1 (0.54) | PTPN1ACHESMN1; SMN2KDM4EHPGD | |
| SCHEMBL21484757 | 0.81 | MAPT (0.49) | SMN1; SMN2KDM4EHPGDCYP1A2CES1 | |
| SCHEMBL29250482 | 0.80 | CYP1A2 (0.41) | PTPN1ACHECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29078315 | 0.77 | CES2 (0.50) | PTPN1SMN1; SMN2KDM4EHPGDCYP1A2 | |
| SCHEMBL1197425 | 0.77 | PDE4D (0.40) | NPC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL29171631 | 0.76 | PTPN1 (0.48) | PTPN1SMN1; SMN2KDM4EHPGDCES2 | |
| SCHEMBL7382225 | 0.76 | ACHE (0.67) | ACHENPC1 | |
| SCHEMBL23927437 | 0.75 | PDE4D (0.45) | HPGDPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL685952 | 0.73 | PTPN1 (0.51) | PTPN1SMN1; SMN2KDM4EHPGDCYP1A2 | |
| SCHEMBL26726952 | 0.73 | PTPN1 (0.51) | PTPN1SMN1; SMN2KDM4EHPGDCYP1A2 |
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-117720403-A | Preparation method of asymmetric ketone compound | 大连理工大学 | 2024-03-19 | — | — | CN | disclosed |