Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.55 |
| ▸ | ADK | P55263 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL722191 | 0.82 | NISCH (0.78) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL862114 | 0.80 | NISCH (0.75) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL771769 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL14599590 | 0.79 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6002633 | 0.79 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Bromide SCHEMBL28346147 | 0.78 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5224238 | 0.77 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL6055845 | 0.76 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL3407136 | 0.76 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL5151126 | 0.76 | NISCH (0.69) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2771342-B1 | PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2016-05-18 | — | — | EP | disclosed |
| US-9334271-B2 | Purine derivatives and their use in the treatment of disease | NOVARITS AG (CH) | 2016-05-10 | — | — | US | disclosed |
| US-20140336166-A1 | NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2014-11-13 | — | — | US | disclosed |
| EP-2771342-A1 | NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | Novartis AG (CH) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013061305-A1 | NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2013-05-02 | — | — | 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-20140336166-A1 | NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | PNP, TYMP, ADORA2A | CYP1A2 1499/4885CYP3A4 2373/4885CYP2D6 1203/4885 |
“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.