Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6936439 | 0.80 | NPC1 (0.47) | SMN1; SMN2ALDH1A1NPC1RAB9APTGS2 | |
| SCHEMBL28250055 | 0.80 | F10 (0.54) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL28250054 | 0.80 | NPC1 (0.56) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL6045338 | 0.76 | KCNN4 (0.55) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL2793473 | 0.75 | CYP2C9 (0.58) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL574740 | 0.75 | CA1 (0.57) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL29965289 | 0.72 | F10 (0.47) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL28711201 | 0.71 | KMT2A (0.60) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL5308848 | 0.71 | CYP1A2 (0.47) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 | |
| SCHEMBL2316036 | 0.71 | KCNN4 (0.53) | GAASMN1; SMN2ALDH1A1KDM4ENPC1 |
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-108752232-B | Synthetic method of alpha-quaternary carbon amino acid | 四川大学 | 2021-03-19 | — | — | CN | disclosed |
| CN-108752232-A | A kind of synthetic method of α-quaternary carbon amino acid | 四川大学 | 2018-11-06 | — | — | CN | disclosed |