Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL28701272 | 0.81 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1GABRA1GABRB2HTT | |
| SCHEMBL8227726 | 0.77 | KDM4E (0.50) | HSP90AA1GABRA1GABRB2HTTLMNA | |
| SCHEMBL29986460 | 0.75 | KDM4E (0.48) | HSP90AA1GABRA1GABRB2HTTLMNA | |
| Ethane SCHEMBL27829996 | 0.75 | KDM4E (0.48) | HSP90AA1GABRA1GABRB2HTTLMNA | |
| SCHEMBL28439262 | 0.75 | GABRA1 (0.47) | HSP90AA1GABRA1GABRB2KDM1AHTT | |
| SCHEMBL28439261 | 0.75 | KDM4E (0.43) | HSP90AA1KDM1AHTTLMNAKDM4E | |
| SCHEMBL19241404 | 0.73 | KDM4E (0.44) | HSP90AA1HTTLMNAKDM4ECYP1A2 | |
| SCHEMBL13848409 | 0.73 | TRPM8 (0.44) | HTTLMNAKDM4ECYP1A2POLB | |
| SCHEMBL2734764 | 0.73 | KDM4E (0.50) | HSP90AA1KDM1AHTTLMNAKDM4E | |
| SCHEMBL21363250 | 0.73 | HSP90AA1 (0.64) | HSP90AA1HSP90AB1GABRA1GABRB2HTT |
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 |