Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30774989 | 1.00 | CCNA2 (0.38) | CCNA2CDK2AURKAALDH1A1L3MBTL1 | |
| SCHEMBL29135025 | 0.85 | CYP2C19 (0.43) | AURKAALDH1A1L3MBTL1KMT2ACYP1A2 | |
| SCHEMBL30774991 | 0.85 | CYP2C19 (0.43) | AURKAALDH1A1L3MBTL1KMT2ACYP1A2 | |
| SCHEMBL30774988 | 0.85 | TTK (0.46) | AURKARAF1BRAF | |
| SCHEMBL29134651 | 0.85 | TTK (0.46) | AURKARAF1BRAF | |
| SCHEMBL29134660 | 0.85 | SYK (0.45) | AURKAALDH1A1L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL30774987 | 0.85 | SYK (0.45) | AURKAALDH1A1L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL29134653 | 0.78 | CYP2C19 (0.46) | CDK2AURKAALDH1A1L3MBTL1KMT2A | |
| SCHEMBL30775044 | 0.78 | CYP2C19 (0.46) | CDK2AURKAALDH1A1L3MBTL1KMT2A | |
| SCHEMBL29134663 | 0.73 | SYK (0.48) | AURKAALDH1A1L3MBTL1KMT2ACYP1A2 |
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-117343017-A | Halogenated diaryl pyrimidine compound containing biaryl structure, and preparation method and application thereof | 四川大学 | 2024-01-05 | — | — | CN | disclosed |