Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | STS | P08842 | 2/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4249427 | 0.85 | NPC1 (0.63) | HTTMAPTNPSR1NPC1ALDH1A1 | |
| SCHEMBL28292159 | 0.81 | POLB (0.46) | HTTMAPTNPSR1NPC1NR3C1 | |
| SCHEMBL4240599 | 0.78 | POLB (0.59) | HTTMAPTNPSR1NPC1ALDH1A1 | |
| SCHEMBL4242596 | 0.77 | RORC (0.41) | CES2CES1MAPTNPC1NR3C1 | |
| SCHEMBL8077306 | 0.76 | GABRA1 (0.65) | CES2CES1MAPTNPSR1NPC1 | |
| SCHEMBL4823687 | 0.75 | CES2 (0.77) | CES2CES1NPSR1CYP2C8NPC1 | |
| SCHEMBL31414638 | 0.75 | CES2 (0.77) | CES2CES1NPSR1CYP2C8NPC1 | |
| SCHEMBL27681455 | 0.74 | PARP1 (0.57) | CES2CES1HTTMAPTNPSR1 | |
| SCHEMBL5193772 | 0.74 | NPC1 (0.62) | CES2CES1HTTMAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL27733557 | 0.74 | CES2 (0.74) | CES2CES1NPSR1CYP2C8NPC1 |
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 |