Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 2/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL29792856 | 0.80 | CYP2A6 (0.46) | CYP2A6GPR84PTGDR2CMA1AHR | |
| SCHEMBL16637560 | 0.80 | CYP2A6 (0.46) | CYP2A6GPR84PTGDR2CMA1AHR | |
| SCHEMBL23088139 | 0.80 | CYP2A6 (0.46) | CYP2A6GPR84PTGDR2CMA1AHR | |
| SCHEMBL5411000 | 0.76 | CYP2A6 (0.52) | CHEK1CYP2A6TYMSCMA1AHR | |
| SCHEMBL29967989 | 0.76 | CYP2A6 (0.52) | CHEK1CYP2A6TYMSCMA1AHR | |
| SCHEMBL6795347 | 0.74 | CYP2A6 (0.47) | CYP2A6GPR84 | |
| SCHEMBL13659534 | 0.74 | ALDH1A1 (0.52) | CYP2A6GPR84 | |
| SCHEMBL4294155 | 0.72 | CHEK1 (0.51) | CHEK1CYP2A6GPR84 | |
| SCHEMBL31723362 | 0.72 | GPR84 (0.30) | GPR84 | |
| SCHEMBL2406653 | 0.71 | CYP2A6 (0.48) | CHEK1CYP2A6TYMSCMA1AHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20090258852-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| US-20090258852-A1 | Inhibitors of Checkpoint Kinases | MERCK SHARP & DOHME CORP. | 2009-10-15 | — | — | US | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | 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-20090258852-A1 | Inhibitors of Checkpoint Kinases | CHEK1, CHEK2, CDKN1A | CHEK1 1/4885CYP2A6 4570/4885GPR84 2561/4885 |
“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.