Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PPM1B | O75688 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27195180 | 1.00 | ALDH1A1 (0.44) | ALDH1A1NT5ELMNASMN1; SMN2TDP1 | |
| SCHEMBL24672804 | 1.00 | ALDH1A1 (0.44) | ALDH1A1NT5ELMNASMN1; SMN2TDP1 | |
| SCHEMBL7033484 | 0.88 | MEN1 (0.43) | ALDH1A1NT5ELMNASMN1; SMN2TDP1 | |
| SCHEMBL7033483 | 0.88 | MEN1 (0.43) | ALDH1A1NT5ELMNASMN1; SMN2TDP1 | |
| SCHEMBL7166312 | 0.85 | ALDH1A1 (0.43) | ALDH1A1NT5ELMNASMN1; SMN2TDP1 | |
| SCHEMBL24672322 | 0.85 | ALDH1A1 (0.45) | ALDH1A1NT5ELMNATDP1MAPK1 | |
| SCHEMBL17976785 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNATDP1MAPK1POLB | |
| SCHEMBL16576322 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNATDP1MAPK1POLB | |
| SCHEMBL20733585 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNATDP1MAPK1POLB | |
| SCHEMBL20557343 | 0.80 | ALDH1A1 (0.52) | ALDH1A1LMNATDP1MAPK1POLB |
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-2022237747-A1 | SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF | 四川海思科制药有限公司 | 2022-11-17 | — | — | WO | disclosed |