Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | USP8 | P40818 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2884290 | 0.77 | CA1 (0.46) | CA1CA2CA7CA9MYC | |
| SCHEMBL5155563 | 0.73 | CA1 (0.43) | CA1CA2CA7CA9MYC | |
| SCHEMBL30900308 | 0.73 | PDCD1 (0.34) | CA1CA2CA7CA9DPP4 | |
| SCHEMBL29492985 | 0.73 | CDC25B (0.39) | ALDH1A1MEN1POLBKMT2ANPC1 | |
| SCHEMBL879050 | 0.73 | CDC25B (0.39) | ALDH1A1MEN1POLBKMT2ANPC1 | |
| SCHEMBL29634210 | 0.70 | CA1 (0.52) | CA1CA2CA7CA9MYC | |
| SCHEMBL1688847 | 0.70 | ALDH1A1 (0.55) | CA1CA2CA7CA9MYC | |
| SCHEMBL6036681 | 0.70 | TDP2 (0.52) | CA1CA2CA7CA9MYC | |
| SCHEMBL4161497 | 0.70 | CA1 (0.52) | CA1CA2CA7CA9MYC | |
| SCHEMBL4019686 | 0.70 | ALDH1A1 (0.55) | CA1CA2CA7CA9MYC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116217561-A | Novel kinase inhibitor with dimethyl isoindolone structure and preparation method and application thereof | 上海交通大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-116217561-A | Novel kinase inhibitor with dimethyl isoindolone structure and preparation method and application thereof | 上海交通大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-116217561-A | Novel kinase inhibitor with dimethyl isoindolone structure and preparation method and application thereof | 上海交通大学 | 2023-06-06 | — | — | CN | disclosed |