Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.83 |
| ▸ | HSP90AB1 | P08238 | 15/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3950788 | 0.91 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2 | |
| SCHEMBL3956794 | 0.85 | HSP90AA1 (0.89) | HSP90AA1HSP90AB1KCNH2SMN1; SMN2 | |
| SCHEMBL2563125 | 0.85 | HSP90AB1 (0.72) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL2562465 | 0.84 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1KCNH2CYP2C19 | |
| SCHEMBL2565891 | 0.84 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL12161130 | 0.83 | HSP90AB1 (0.74) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL12161039 | 0.82 | HSP90AB1 (0.69) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL3961384 | 0.82 | HSP90AB1 (0.92) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL3950781 | 0.81 | HSP90AB1 (0.74) | HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL3958501 | 0.81 | HSP90AB1 (0.74) | HSP90AA1HSP90AB1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009030871-A1 | PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY | VERNALIS R & D LTD (GB) | 2009-03-12 | — | — | WO | claimed |
| WO-2009030871-A1 | PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY | VERNALIS R & D LTD (GB) | 2009-03-12 | — | — | WO | disclosed |
| WO-2009030871-A1 | PYRROLOPYRIMIDINE DERIVATIVES HAVING HSP90 INHIBITORY ACTIVITY | VERNALIS R & D LTD (GB) | 2009-03-12 | — | — | WO | disclosed |