Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.37 |
| ▸ | CDC7 | O00311 | 4/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21729515 | 1.00 | AAK1 (0.37) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL20570765 | 0.87 | CDC7 (0.40) | CDC7DBF4ROCK1RAB9AMEN1 | |
| SCHEMBL21729500 | 0.86 | AAK1 (0.42) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL21729493 | 0.84 | AAK1 (0.42) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL28453787 | 0.84 | CDC7 (0.43) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL21729495 | 0.84 | CDC7 (0.43) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL21729586 | 0.84 | AAK1 (0.39) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL28457041 | 0.84 | AAK1 (0.42) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL21729584 | 0.81 | AAK1 (0.37) | AAK1CDC7DBF4ROCK1RAB9A | |
| SCHEMBL28446403 | 0.81 | ABCB1 (0.37) | AAK1MEN1KMT2AABCB1LMNA |
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-112409373-A | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110381950-B | Substituted [5,6] cyclo-4 (3H) -pyrimidinones as anticancer agents | 南京正济医药研究有限公司 | 2020-09-04 | — | — | CN | disclosed |