Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | FLT3 | P36888 | 1/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.45 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4063737 | 0.85 | PDK1 (0.58) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL4388807 | 0.84 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1NPC1RAB9AHSP90B1 | |
| SCHEMBL13848383 | 0.84 | KMT2A (0.47) | MEN1KMT2ANPC1RAB9APRKAB2 | |
| SCHEMBL4059575 | 0.81 | NPC1 (0.48) | MEN1KMT2ANPC1RAB9APRKAB2 | |
| SCHEMBL4238978 | 0.81 | PDK1 (0.43) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL13848303 | 0.79 | HSP90AA1 (0.58) | KMT2AHSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL4385992 | 0.77 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL4395463 | 0.77 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 | |
| SCHEMBL28934605 | 0.76 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 | |
| SCHEMBL4397076 | 0.76 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1HSP90B1TRAP1PDK1 |
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 |