Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 6/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16939080 | 1.00 | PDK1 (0.37) | PDK1KCNH2HRH3SLC6A2EPHA2 | |
| SCHEMBL1753592 | 0.87 | — | — | |
| SCHEMBL13887656 | 0.87 | — | — | |
| SCHEMBL13887646 | 0.87 | — | — | |
| Bromide SCHEMBL18394892 | 0.85 | HRH3 (0.39) | PDK1KCNH2HRH3SLC6A2 | |
| Hydrochloric Acid SCHEMBL28273479 | 0.85 | HRH3 (0.39) | PDK1KCNH2HRH3SLC6A2 | |
| SCHEMBL20745204 | 0.82 | PDK1 (0.54) | PDK1KCNH2HRH3SLC6A2KMT2A | |
| SCHEMBL20745202 | 0.82 | PDK1 (0.54) | PDK1KCNH2HRH3SLC6A2KMT2A | |
| SCHEMBL31328457 | 0.82 | ALDH1A1 (0.36) | PDK1KCNH2HRH3SLC6A2EPHA2 | |
| SCHEMBL27953404 | 0.80 | HRH3 (0.37) | PDK1HRH3SLC6A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023150394-A1 | METHODS FOR TREATMENT OF CANCER | FRONTIER MEDICINES CORPORATION (US) | 2023-08-10 | — | — | WO | disclosed |
| WO-2023081840-A1 | KRAS G12C INHIBITORS | FRONTIER MEDICINES CORPORATION (US) | 2023-05-11 | — | — | WO | disclosed |
| US-8455471-B2 | Compositions of CHK1 inhibitors and cyclodextrin | ICOS CORPORATION (US) | 2013-06-04 | — | — | US | disclosed |
| WO-2011152485-A1 | NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2011-12-08 | — | — | WO | disclosed |
| US-20100168080-A1 | NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | KHAMRAI UTTAM | 2010-07-01 | — | — | US | disclosed |
| US-20100152160-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | KHAMRAI UTTAM | 2010-06-17 | — | — | 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 (2 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-20100152160-A1 | NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | CCR1, CCR4, CCR5 | PDK1 3187/4885KCNH2 4270/4885HRH3 307/4885 |
| US-20100168080-A1 | NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS | CCR1, CCR5, CCR3 | PDK1 3410/4885KCNH2 4299/4885HRH3 177/4885 |
“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.