Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 5/20 | 0.44 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.40 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805567 | 0.81 | ACHE (0.40) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL1239429 | 0.81 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL30017695 | 0.81 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL3674130 | 0.81 | KCNN4 (0.42) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL26916930 | 0.79 | KCNN4 (0.41) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL8716679 | 0.77 | KCNN4 (0.44) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL28879487 | 0.77 | KCNN4 (0.44) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| Tert-Butanol SCHEMBL4349692 | 0.76 | KCNN4 (0.43) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL13859151 | 0.76 | KCNN4 (0.39) | KCNN4KCNE1KCNQ1ACHEALDH1A1 | |
| SCHEMBL179259 | 0.75 | ALDH1A1 (0.50) | KCNN4KCNE1KCNQ1ACHEALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107406440-A | Bace1 inhibitor | 豪夫迈·罗氏有限公司 | 2017-11-28 | — | — | CN | disclosed |