Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.64 |
| ▸ | RAB9A | P51151 | 10/20 | 0.64 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.56 |
| ▸ | CDK2 | P24941 | 3/20 | 0.56 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30822684 | 1.00 | NPC1 (0.64) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL29165008 | 0.81 | HDAC1 (0.48) | NPC1RAB9AALDH1A1SORT1HDAC1 | |
| SCHEMBL30822692 | 0.81 | HDAC1 (0.48) | NPC1RAB9AALDH1A1SORT1HDAC1 | |
| SCHEMBL6341557 | 0.76 | CCNA2 (0.85) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL17538513 | 0.74 | CCNA2 (0.71) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL29164652 | 0.74 | RAB9A (0.62) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL6339310 | 0.74 | NPC1 (0.66) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL9132190 | 0.74 | CCNA2 (0.66) | NPC1RAB9ACCNA2CDK2CCNA1 | |
| SCHEMBL15613375 | 0.73 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2MEN1ALDH1A1 | |
| SCHEMBL25143450 | 0.72 | CCNA2 (0.63) | NPC1RAB9ACCNA2CDK2CCNA1 |
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-117659001-A | Aminopyrimidine derivatives and their use in medicine | 广东东阳光药业股份有限公司 | 2024-03-08 | — | — | CN | disclosed |