Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 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 | |
|---|---|---|---|---|
| SCHEMBL2268820 | 0.79 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL31404120 | 0.79 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| Hydrochloric Acid SCHEMBL30775696 | 0.77 | PDK2 (0.48) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL13004676 | 0.77 | NPC1 (0.46) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL24390000 | 0.76 | NPC1 (0.45) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL21920792 | 0.73 | NPC1 (0.43) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL31456502 | 0.73 | NPC1 (0.43) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL26040260 | 0.73 | NPC1 (0.43) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL29506032 | 0.72 | NPC1 (0.41) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT | |
| SCHEMBL2267714 | 0.72 | NPC1 (0.41) | NPC1CYP1A2SMN1; SMN2GSK3BMAPT |
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-2020249969-A1 | CGRP ANTAGONIST COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-12-17 | — | — | WO | disclosed |