Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | CTSL | P07711 | 4/20 | 0.54 |
| ▸ | CTSS | P25774 | 4/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL28987232 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL22215228 | 0.88 | ALDH1A1 (0.64) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987193 | 0.88 | ALDH1A1 (0.64) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL30341794 | 0.87 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL28987222 | 0.87 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL28987225 | 0.87 | ALDH1A1 (0.57) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL28987224 | 0.86 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL28987227 | 0.86 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ECTSLCTSS | |
| SCHEMBL28987220 | 0.84 | ALDH1A1 (0.54) | ALDH1A1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL28987218 | 0.84 | ALDH1A1 (0.54) | 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 |