Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14832983 | 0.83 | BACE1 (0.48) | RPS6KA3BACE1AKR1C2AKR1C1ALOX5 | |
| SCHEMBL16982131 | 0.83 | RPS6KA3 (0.49) | RPS6KA3ESR1ESR2 | |
| SCHEMBL4603480 | 0.80 | BACE1 (0.42) | RPS6KA3BACE1AKR1C2AKR1C1ALOX5 | |
| SCHEMBL16982138 | 0.80 | VRK1 (0.46) | RPS6KA3AKR1C2AKR1C1ESR1ESR2 | |
| SCHEMBL4428961 | 0.80 | AKR1C2 (0.51) | RPS6KA3BACE1AKR1C2AKR1C1HPGD | |
| SCHEMBL5948999 | 0.79 | ERN1 (0.34) | ESR1ESR2 | |
| SCHEMBL25221380 | 0.77 | BACE1 (0.39) | RPS6KA3BACE1AKR1C2AKR1C1ALOX5 | |
| SCHEMBL7077947 | 0.77 | DHODH (0.40) | RPS6KA3BACE1AKR1C2AKR1C1HPGD | |
| SCHEMBL25275054 | 0.77 | BACE1 (0.39) | RPS6KA3BACE1AKR1C2AKR1C1ALOX5 | |
| Methane SCHEMBL27625982 | 0.77 | BACE1 (0.39) | RPS6KA3BACE1AKR1C2AKR1C1ALOX5 |
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-2011057956-A1 | BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011057959-A1 | INDOLE AND INDAZOLE DERIVATIVES AS GLYCOGEN SYNTHASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |