Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1397470 | 0.87 | KMT2A (0.58) | NPC1KMT2ALMNASMN1; SMN2RAB9A | |
| SCHEMBL2379291 | 0.86 | CES2 (0.48) | NPC1LMNASMN1; SMN2ALPGHPGD | |
| SCHEMBL25214258 | 0.83 | CES2 (0.50) | NPC1SMN1; SMN2HPGDRAB9ACES2 | |
| SCHEMBL7867720 | 0.82 | CES2 (0.59) | KMT2ALMNASMN1; SMN2HPGDRAB9A | |
| SCHEMBL744661 | 0.82 | CES2 (0.63) | NPC1KMT2ALMNASMN1; SMN2RAB9A | |
| SCHEMBL681159 | 0.81 | NPC1 (0.58) | NPC1LMNASMN1; SMN2ALPGHPGD | |
| SCHEMBL17483917 | 0.81 | NPC1 (0.50) | NPC1LMNASMN1; SMN2ALPGHPGD | |
| SCHEMBL4971852 | 0.80 | CYP2C9 (0.52) | NPC1KMT2ALMNASMN1; SMN2RAB9A | |
| SCHEMBL526237 | 0.80 | CES2 (0.46) | NPC1KMT2ASMN1; SMN2HPGDRAB9A | |
| SCHEMBL28043313 | 0.80 | SMN1; SMN2 (0.53) | NPC1KMT2ALMNASMN1; SMN2HPGD |
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-114478218-A | Preparation method of 1, 3-diketone methylated compound | 南京工业大学 | 2022-05-13 | — | — | CN | disclosed |
| CN-105254483-A | Method for preparing 2-methyl-1,3-dicarbonyl derivative | UNIV SOOCHOW | 2016-01-20 | — | — | CN | disclosed |