Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3700347 | 1.00 | KCNN4 (0.50) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL14899575 | 0.85 | CES1 (0.48) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL277653 | 0.82 | CES1 (0.65) | KCNN4CES1MAPTKMT2ASRC | |
| Methoxymethane SCHEMBL36163 | 0.80 | CES1 (0.62) | KCNN4CES1MAPTKMT2ASRC | |
| SCHEMBL2130744 | 0.80 | CYP1A2 (0.46) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL1354212 | 0.79 | CYP1A2 (0.44) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL14800032 | 0.79 | CYP1A2 (0.44) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL5322819 | 0.79 | KCNN4 (0.42) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL5171119 | 0.79 | CYP1A2 (0.44) | KCNN4CES1CYP1A2CYP2D6MAPT | |
| SCHEMBL10878211 | 0.77 | CYP1A2 (0.43) | KCNN4CES1CYP1A2CYP2D6MAPT |
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-2000076990-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-21 | — | — | WO | disclosed |