Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | VDR | P11473 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | LDHB | P07195 | 1/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.45 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL22215228 | 0.87 | ALDH1A1 (0.64) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987193 | 0.87 | ALDH1A1 (0.64) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987216 | 0.86 | LMNA (0.56) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987213 | 0.86 | LMNA (0.56) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987227 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987224 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987186 | 0.85 | MAPT (0.56) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL22215196 | 0.85 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987197 | 0.84 | MDM2 (0.58) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987233 | 0.84 | MAPT (0.55) | ALDH1A1MAPTKDM4ENPC1RAB9A |
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-116003272-A | Asymmetric catalytic synthesis method of AK-3 chiral alpha-amino ketone | 常州大学 | 2023-04-25 | — | — | CN | disclosed |