Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13765775 | 0.81 | DPP4 (0.40) | HSP90AB1CRHR1DPP4DPP8 | |
| SCHEMBL4095820 | 0.76 | HSP90AB1 (0.50) | HSP90AB1ADORA3ADORA1ADORA2AJAK2 | |
| SCHEMBL3914323 | 0.68 | PDPK1 (0.56) | DPP4PDPK1CDK2 | |
| SCHEMBL15444885 | 0.67 | HSD11B1 (0.46) | HSP90AB1CRHR1DPP4DPP8KDM4E | |
| SCHEMBL4080406 | 0.65 | DPP4 (0.46) | HSP90AB1DPP4DPP8HPGDBRAF | |
| SCHEMBL4089680 | 0.62 | DPP4 (0.46) | HSP90AB1PIK3CACRHR1DPP4DPP8 | |
| SCHEMBL4097131 | 0.60 | CRHR1 (0.43) | HSP90AB1PIK3CACRHR1DPP4DPP8 | |
| SCHEMBL4094400 | 0.60 | HSP90AB1 (0.55) | HSP90AB1CRHR1DPP4DPP8KDM4E | |
| SCHEMBL5089390 | 0.59 | DPP4 (0.38) | CRHR1DPP4DPP8KDM4EHPGD | |
| SCHEMBL3367392 | 0.59 | NOS1 (0.42) | HSP90AB1PIK3CACRHR1DPP4CDK2 |
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.