Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2158416 | 0.77 | HSP90AB1 (0.56) | AMY1AHCRTR1IDO1HSP90AB1 | |
| SCHEMBL2159654 | 0.75 | AMY1A (0.43) | AMY1AIDO1F7 | |
| SCHEMBL13575003 | 0.75 | HSP90AB1 (0.42) | HSP90AB1 | |
| SCHEMBL14343838 | 0.75 | HSP90AB1 (0.42) | AMY1AIDO1BACE1BACE2HSP90AB1 | |
| SCHEMBL2747190 | 0.74 | AMY1A (0.43) | AMY1AIDO1BACE1BACE2F7 | |
| SCHEMBL1550931 | 0.72 | AMY1A (0.47) | AMY1AIDO1BACE1BACE2F7 | |
| Acetic Acid SCHEMBL2159650 | 0.72 | AMY1A (0.44) | AMY1AIDO1F7 | |
| SCHEMBL12430611 | 0.71 | HSP90AB1 (0.61) | HSP90AB1 | |
| SCHEMBL14406022 | 0.69 | HSP90AB1 (0.58) | HSP90AB1 | |
| SCHEMBL2158386 | 0.65 | HSP90AB1 (0.71) | HSP90AB1 |
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-2009153516-A1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2009-12-23 | — | — | WO | disclosed |