Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1E | P49674 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28480065 | 1.00 | CSNK1E (0.40) | CSNK1EKCNH2POLBTSHRMAPK1 | |
| SCHEMBL28479451 | 1.00 | CSNK1E (0.40) | CSNK1EKCNH2POLBTSHRMAPK1 | |
| SCHEMBL28473544 | 1.00 | CSNK1E (0.40) | CSNK1EKCNH2POLBTSHRMAPK1 | |
| SCHEMBL28473230 | 1.00 | CSNK1E (0.40) | CSNK1EKCNH2POLBTSHRMAPK1 | |
| SCHEMBL28476284 | 0.90 | ALDH1A1 (0.45) | CSNK1EKCNH2POLBTSHRMAPK1 | |
| SCHEMBL28473501 | 0.84 | ALDH1A1 (0.46) | POLBTSHRMAPK1NPC1BCHE | |
| SCHEMBL28037454 | 0.80 | CSNK1E (0.53) | CSNK1EDNM1CNR2 | |
| SCHEMBL8103322 | 0.78 | PLA2G1B (0.57) | CSNK1EKCNH2 | |
| SCHEMBL6478449 | 0.77 | KCNH2 (0.50) | KCNH2CNR2BCHEACHE | |
| Hydrochloric Acid SCHEMBL4893323 | 0.77 | POLB (0.43) | POLBDNM1NPC1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111875512-B | Secondary amine and amide podand ether ligand containing ether bond and preparation method and application thereof | 四川大学 | 2021-09-14 | — | — | CN | disclosed |
| CN-111875512-A | Secondary amine and amide podand ether ligand containing ether bond and preparation method and application thereof | 四川大学 | 2020-11-03 | — | — | CN | disclosed |