Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.60 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.58 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.58 |
| ▸ | BRD4 | O60885 | 6/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.50 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL13848302 | 0.83 | ALDH1A1 (0.58) | HSP90AA1HSD17B1HSD17B2ALDH1A1SMN1; SMN2 | |
| SCHEMBL13848412 | 0.82 | BRD4 (0.51) | HSP90AA1HSP90B1TRAP1BRD4ALDH1A1 | |
| SCHEMBL23479670 | 0.82 | BRD4 (0.53) | HSP90AA1BRD4HSD17B1HSD17B2IKBKB | |
| SCHEMBL13848092 | 0.79 | ALDH1A1 (0.55) | HSP90AA1HSP90B1TRAP1BRD4ALDH1A1 | |
| SCHEMBL13848369 | 0.78 | FYN (0.48) | HSP90AA1HSP90B1TRAP1BRD4KIF11 | |
| SCHEMBL10094419 | 0.77 | KCNH2 (0.53) | HSP90AA1BRD4HSD17B1HSD17B2IKBKB | |
| SCHEMBL13848087 | 0.76 | L3MBTL1 (0.59) | HSP90AA1HSP90B1TRAP1ALDH1A1HTT | |
| SCHEMBL4239928 | 0.75 | HSP90AA1 (0.51) | HSP90AA1HSD17B1HSD17B2CYP1A2CYP3A4 | |
| SCHEMBL23479799 | 0.74 | BRD4 (0.49) | BRD4HSD17B1HSD17B2KIF11CYP1A2 | |
| SCHEMBL13524566 | 0.74 | KIF11 (0.56) | BRD4HSD17B1HSD17B2KIF11CYP1A2 |
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 1 patent. 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 |