Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.46 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 2/20 | 0.43 |
| ▸ | TYK2 | P29597 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | CECR2 | Q9BXF3 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21958460 | 0.84 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1GAAMAPTKDM4E | |
| SCHEMBL13848169 | 0.83 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1MAPTKDM4EMTOR | |
| SCHEMBL4072687 | 0.80 | HSD17B10 (0.48) | NPC1MAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL19657117 | 0.78 | ALDH1A1 (0.58) | HSP90AA1HSP90AB1GAANPC1MAPT | |
| SCHEMBL13848420 | 0.77 | ROCK1 (0.43) | GAANPC1MAPTKDM4EALDH1A1 | |
| SCHEMBL21738339 | 0.74 | MEN1 (0.49) | HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A | |
| SCHEMBL12545863 | 0.74 | MAPT (0.54) | HSP90AA1HSP90AB1NPC1MAPTKDM4E | |
| SCHEMBL4068175 | 0.73 | P2RX3 (0.47) | GAA | |
| SCHEMBL13848474 | 0.73 | KCNK3 (0.51) | NPC1MAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL11976993 | 0.72 | HSP90AA1 (0.70) | HSP90AA1HSP90AB1GAANPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |