Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | KRAS | P01116 | 1/20 | 0.30 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | PLK1 | P53350 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5126809 | 0.87 | ATR (0.39) | ATRDYRK1ACNR2MEN1ALDH1A1 | |
| SCHEMBL6509041 | 0.83 | ATR (0.42) | ATRDYRK1ACNR2MEN1ALDH1A1 | |
| SCHEMBL6512647 | 0.81 | CNR2 (0.45) | ATRDYRK1ACNR2MEN1KMT2A | |
| SCHEMBL6511027 | 0.81 | ATR (0.42) | ATRDYRK1ACNR2BRD4PLK1 | |
| SCHEMBL6508889 | 0.81 | ATR (0.42) | ATRDYRK1ACNR2CAMK2DBRD4 | |
| SCHEMBL6511907 | 0.81 | ATR (0.42) | ATRDYRK1ACNR2CYP2D6CYP2C9 | |
| SCHEMBL6521803 | 0.81 | PLK1 (0.44) | ATRDYRK1ACNR2ALDH1A1BRD4 | |
| SCHEMBL6509760 | 0.81 | ATR (0.42) | ATRDYRK1ACNR2BRD4PLK1 | |
| SCHEMBL6517473 | 0.81 | ATR (0.42) | ATRDYRK1ACNR2ALDH1A1CYP2C19 | |
| SCHEMBL6522341 | 0.81 | ATR (0.43) | ATRDYRK1ACNR2BRD4PLK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20080114016-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2008-05-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080114016-A1 | Inhibitors of Checkpoint Kinases | CHEK1, CHEK2, BUB1B | ATR 11/4885DYRK1A 634/4885CNR2 4397/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.