Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.46 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4572228 | 0.81 | CYP2D6 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19ATR | |
| SCHEMBL11541937 | 0.80 | CYP2D6 (0.60) | CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8229590 | 0.76 | PTGS2 (0.64) | PTGS2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL27295925 | 0.75 | CYP2D6 (0.49) | PTGS2CYP2D6PTGS1ATRDYRK1B | |
| SCHEMBL31140236 | 0.75 | CYP2D6 (0.56) | CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL1109087 | 0.75 | CYP2D6 (0.56) | CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28178962 | 0.74 | KCNH2 (0.68) | PTGS2PTGS1KCNH2 | |
| SCHEMBL8798053 | 0.74 | PIM2 (0.39) | CYP2D6CYP19A1CYP2C9CYP2C19GPR119 | |
| SCHEMBL1918207 | 0.74 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL387688 | 0.74 | ENPP2 (0.47) | PTGS2KCNH2ATR |
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 |
|---|---|---|---|---|---|---|---|
| CN-104136426-B | Antimalarial agents | 开普敦大学 | 2017-10-03 | — | — | CN | disclosed |
| CN-102639500-A | Tricyclic compound, preparation method and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2012-08-15 | — | — | CN | disclosed |
| US-20120122884-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-17 | — | — | 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 (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-20120122884-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, CHEK2 | PTGS2 2605/4885CYP2D6 4009/4885CYP19A1 2297/4885 |
“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.