Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 9/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363250 | 0.83 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1ALDH1A1HSD17B10ESR2 | |
| SCHEMBL4063286 | 0.83 | HSP90AA1 (0.49) | HSP90AA1CYP3A4HSP90AB1CYP1A2ALDH1A1 | |
| SCHEMBL10094321 | 0.80 | HSD17B1 (0.47) | HSP90AA1HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL4241557 | 0.78 | APP (0.50) | HSP90AA1HSP90AB1APPMAPTSNCA | |
| SCHEMBL28704117 | 0.78 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1 | |
| SCHEMBL4383317 | 0.76 | HSP90AA1 (0.52) | HSP90AA1CYP3A4CYP2C9HSP90AB1CYP1A2 | |
| SCHEMBL15323374 | 0.76 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1HSD17B10HPGDTSHR | |
| SCHEMBL4191555 | 0.75 | HSD17B1 (0.45) | HSD17B1HSD17B2CYP3A4CYP2C9PELI1 | |
| SCHEMBL13848426 | 0.75 | HSP90AA1 (0.60) | HSP90AA1HSD17B1HSD17B2CYP3A4CYP2C9 | |
| SCHEMBL25906339 | 0.74 | HSP90AA1 (0.60) | HSP90AA1HSP90AB1ALDH1A1LMNASLC6A2 |
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 |