Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.38 |
| ▸ | PNP | P00491 | 2/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL3273070 | 0.74 | CDK5 (0.48) | CYP3A4CYP2C19ALDH1A1KDM4EMEN1 | |
| SCHEMBL3273300 | 0.70 | CCR1 (0.42) | CYP3A4CYP2A6 | |
| SCHEMBL3269217 | 0.70 | ADORA2A (0.35) | ALDH1A1KDM4EHPGD | |
| SCHEMBL3269477 | 0.69 | L3MBTL1 (0.35) | KDM4E | |
| SCHEMBL3274181 | 0.69 | IDO1 (0.35) | — | |
| SCHEMBL3269031 | 0.68 | PDGFRB (0.32) | ALDH1A1MEN1KMT2ACYP2A6 | |
| SCHEMBL3268785 | 0.67 | KDM4E (0.38) | ALDH1A1KDM4EMEN1KMT2ACYP2A6 | |
| 2,6-Diaminopurine SCHEMBL2316818 | 0.66 | KDM4E (0.32) | CYP3A4ALDH1A1KDM4E | |
| SCHEMBL3272888 | 0.66 | CDK5 (0.49) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL18783296 | 0.65 | CYP2A6 (0.50) | CYP3A4CYP2C19ALDH1A1KDM4EMEN1 |
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-1349857-B1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RES LTD (GB) | 2010-06-16 | — | — | EP | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-20060270691-A1 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED | 2006-11-30 | — | — | 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-20060270691-A1 | Purine derivatives as purinergic receptor antagonists | CHRNA10, CHRNA5, CHRNA4 | CYP3A4 803/4885CYP2C19 1174/4885ALDH1A1 1881/4885 |
“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.