Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 5/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20756493 | 0.86 | NOS1 (0.36) | CXCR4NOS1NOS2UHRF1HRH1 | |
| SCHEMBL23447653 | 0.77 | UHRF1 (0.33) | CXCR4NOS1NOS2UHRF1HRH1 | |
| SCHEMBL29332958 | 0.75 | RXRA (0.32) | HRH1RXRAGRIN1GRIN2B | |
| SCHEMBL21250118 | 0.74 | SCN8A (0.34) | CXCR4NOS1NOS2HRH1KDM4E | |
| SCHEMBL22626090 | 0.74 | UHRF1 (0.37) | CXCR4NOS1NOS2UHRF1HRH1 | |
| SCHEMBL179530 | 0.74 | UHRF1 (0.52) | CXCR4NOS1NOS2UHRF1HRH1 | |
| SCHEMBL29453940 | 0.74 | UHRF1 (0.52) | CXCR4NOS1NOS2UHRF1HRH1 | |
| SCHEMBL26774610 | 0.73 | ADORA2A (0.36) | CXCR4NOS1NOS2KMT2ANOS3 | |
| SCHEMBL19465878 | 0.73 | L3MBTL1 (0.36) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL23558267 | 0.73 | SLC6A2 (0.35) | POLBALDH1A1MAPT |
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-20210277002-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS | REPARE THERAPEUTICS INC. (CA) | 2021-09-09 | — | — | 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-20210277002-A1 | COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS | ATR, CHEK2, CHEK1 | CXCR4 3547/4885NOS1 4066/4885NOS2 4342/4885 |
“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.