Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28476284 | 0.95 | ALDH1A1 (0.45) | ALDH1A1MAPTMAPK1GAATSHR | |
| SCHEMBL28479451 | 0.84 | CSNK1E (0.40) | MAPK1TSHRPOLBACHENPC1 | |
| SCHEMBL28480065 | 0.84 | CSNK1E (0.40) | MAPK1TSHRPOLBACHENPC1 | |
| SCHEMBL28473544 | 0.84 | CSNK1E (0.40) | MAPK1TSHRPOLBACHENPC1 | |
| SCHEMBL28473230 | 0.84 | CSNK1E (0.40) | MAPK1TSHRPOLBACHENPC1 | |
| SCHEMBL28479267 | 0.84 | CSNK1E (0.40) | MAPK1TSHRPOLBACHENPC1 | |
| SCHEMBL8543593 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPTMAPK1GAATSHR | |
| SCHEMBL8281048 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MAPTMAPK1GAATSHR | |
| SCHEMBL28541195 | 0.77 | ALDH1A1 (0.44) | ALDH1A1MAPTMAPK1GAATSHR | |
| SCHEMBL10256853 | 0.76 | HSD17B10 (0.56) | ALDH1A1MAPTTSHRHSD17B10HTT |
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 |