Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557133 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL31496797 | 0.85 | ALDH1A1 (0.45) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL28806961 | 0.80 | TDP1 (0.43) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL2552416 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL22828255 | 0.75 | — | — | |
| SCHEMBL1967690 | 0.73 | TAAR1 (0.32) | ALDH1A1TDP1HSD17B10CTSDTSHR | |
| SCHEMBL310486 | 0.73 | — | — | |
| SCHEMBL7859122 | 0.73 | — | — | |
| SCHEMBL8782707 | 0.73 | — | — | |
| SCHEMBL1427091 | 0.73 | — | — |
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-115991884-A | Resin microsphere with covalent bonding heavy metal ion probe and application thereof | 华中师范大学 | 2023-04-21 | — | — | CN | claimed |