Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000168 | 0.80 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1CYP3A4CYP2C19LMNA | |
| SCHEMBL4070902 | 0.77 | LMNA (0.53) | HSP90AA1HSP90AB1LMNAPOLBBCL2 | |
| SCHEMBL8077084 | 0.76 | GABRA1 (0.63) | HSP90AA1HSP90AB1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL4069050 | 0.76 | BCL2 (0.67) | HSP90AA1HSP90AB1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL4057923 | 0.76 | BCL2 (0.50) | HSP90AA1HSP90AB1CYP3A4CYP2C19MET | |
| SCHEMBL4242596 | 0.75 | RORC (0.41) | LMNARORCPOLBMAPT | |
| SCHEMBL7831968 | 0.73 | KMT2A (0.57) | ALDH1A1LMNAPOLBMCL1MEN1 | |
| SCHEMBL4061329 | 0.73 | BCL2 (0.50) | HSP90AA1HSP90AB1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL11011711 | 0.71 | RORC (0.45) | ALDH1A1CYP3A4CYP2C19CYP1A2LMNA | |
| SCHEMBL18677495 | 0.71 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1ALDH1A1CYP3A4CYP2C19 |
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 |