Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4134884 | 0.93 | HSP90AB1 (0.50) | HSP90AB1HSP90AA1KCNH2PIM1ALDH1A1 | |
| SCHEMBL2567338 | 0.92 | HSP90AB1 (0.47) | HSP90AB1HSP90AA1KCNH2PIM1ALDH1A1 | |
| SCHEMBL4064357 | 0.91 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1KCNH2TDP1L3MBTL1 | |
| SCHEMBL3955735 | 0.87 | HSP90AA1 (0.62) | HSP90AB1HSP90AA1KCNH2SMN1; SMN2 | |
| SCHEMBL2566599 | 0.86 | KCNH2 (0.43) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL2564620 | 0.85 | HSP90AB1 (0.55) | HSP90AB1HSP90AA1KCNH2PIM1 | |
| SCHEMBL13798712 | 0.84 | KCNH2 (0.62) | HSP90AB1HSP90AA1KCNH2 | |
| SCHEMBL3961239 | 0.84 | HSP90AA1 (0.56) | HSP90AB1HSP90AA1KCNH2SMN1; SMN2GAA | |
| SCHEMBL3961424 | 0.84 | HSP90AB1 (0.42) | HSP90AB1HSP90AA1KCNH2ALDH1A1RAB9A | |
| SCHEMBL3956701 | 0.83 | HSP90AB1 (0.48) | HSP90AB1HSP90AA1KCNH2 |
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 1 patent. 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 | disclosed |