Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13765774 | 0.81 | DPP4 (0.40) | HSP90AB1KDM4EHPGDNPSR1CYP2C19 | |
| SCHEMBL4098633 | 0.76 | HSP90AB1 (0.50) | HSP90AB1ADORA3ADORA1KDM4EHPGD | |
| SCHEMBL5089221 | 0.73 | MAPT (0.39) | HSP90AB1KDM4EHPGDNPSR1JAK2 | |
| SCHEMBL14107166 | 0.73 | CRHR1 (0.40) | HSP90AB1KDM4EHPGDNPSR1CYP2C19 | |
| SCHEMBL5089216 | 0.71 | GSK3B (0.48) | KDM4EHPGDNPSR1CYP2C19CYP3A4 | |
| SCHEMBL4806164 | 0.71 | CNR1 (0.47) | KDM4EHPGDNPSR1PTGS2 | |
| SCHEMBL4810834 | 0.71 | PTGS2 (0.42) | KDM4EHPGDNPSR1DPP4PTGS2 | |
| SCHEMBL4802843 | 0.70 | PTGS2 (0.41) | KDM4EHPGDNPSR1DPP4PTGS2 | |
| SCHEMBL15444885 | 0.70 | HSD11B1 (0.46) | HSP90AB1KDM4EHPGDMAPTDPP4 | |
| SCHEMBL4807071 | 0.69 | DPP4 (0.45) | KDM4EHPGDNPSR1CYP3A4DPP4 |
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-20090181989-A1 | Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer | VERNALIS ( R & D) LTD. (GB) | 2009-07-16 | — | — | US | disclosed |
| EP-2004648-A1 | PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER | Vernalis (R&D) Limited (GB) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007034185-A1 | PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER | VERNALIS (R & D) LTD. (GB) | 2007-03-29 | — | — | 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-20090181989-A1 | Purine Compunds as HSP90 Protein Inhibitors for the Treatment of Cancer | HSP90AA1, HSP90AB1, HSP90AB2P | HSP90AB1 2/4885ADORA3 1010/4885ADORA1 723/4885 |
“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.