Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6016555 | 1.00 | CYP3A4 (0.51) | CYP3A4HDAC1CDK1CCNE2CCNE1 | |
| SCHEMBL7148959 | 0.92 | CYP3A4 (0.49) | CYP3A4HDAC1CYP2D6HPRT1 | |
| SCHEMBL6901622 | 0.88 | CDK1 (0.55) | CYP3A4HDAC1CDK1CDK2CTSL | |
| SCHEMBL6901637 | 0.88 | CDK1 (0.55) | CYP3A4HDAC1CDK1CDK2CTSL | |
| SCHEMBL7148939 | 0.85 | CYP3A4 (0.51) | CYP3A4P2RY1CYP2D6HPRT1 | |
| SCHEMBL6016558 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2D6HPRT1 | |
| SCHEMBL6016507 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2D6HPRT1 | |
| SCHEMBL6901120 | 0.81 | CYP3A4 (0.56) | CYP3A4HDAC1CYP2D6 | |
| SCHEMBL6901110 | 0.81 | CYP3A4 (0.56) | CYP3A4HDAC1CYP2D6 | |
| SCHEMBL6896822 | 0.78 | CYP3A4 (0.58) | CYP3A4P2RY1CYP2D6HPRT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1244668-B1 | PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF | UNIVERSITAIRE INSTELLING ANTWE (BE) | 2006-04-05 | — | — | EP | claimed |
| US-20030187261-A1 | Purine derivatives, process for their preparation and use thereof | USTAV EXPERIMANTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) | 2003-10-02 | — | — | US | claimed |
| US-20030187261-A1 | Purine derivatives, process for their preparation and use thereof | USTAV EXPERIMANTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) | 2003-10-02 | — | — | 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-20030187261-A1 | Purine derivatives, process for their preparation and use thereof | DCK, DTYMK, CCNK | CYP3A4 2631/4885HDAC1 2757/4885CDK1 7/4885 |
“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.