Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7015023 | 0.68 | GAA (0.45) | ALDH1A1LMNANPSR1HSD17B10XDH | |
| SCHEMBL7629057 | 0.68 | MAPT (0.38) | ALDH1A1LMNAPOLBSCN2ANPSR1 | |
| SCHEMBL28317129 | 0.68 | TSHR (0.39) | ALDH1A1POLBHSD17B10CYP3A4FBP1 | |
| SCHEMBL9015208 | 0.68 | ALDH1A1 (0.36) | ALDH1A1LMNAPOLBHSD17B10CYP1A2 | |
| SCHEMBL30522768 | 0.67 | CDK4 (0.43) | ALDH1A1LMNATSHR | |
| SCHEMBL4080987 | 0.67 | CDK4 (0.43) | ALDH1A1LMNATSHR | |
| SCHEMBL85578 | 0.66 | SCN2A (0.54) | ALDH1A1LMNAPOLBSCN2ANPSR1 | |
| SCHEMBL3244128 | 0.65 | — | — | |
| SCHEMBL6800419 | 0.64 | L3MBTL1 (0.41) | ALDH1A1LMNAPOLBPTGS1PTGS2 | |
| SCHEMBL10333381 | 0.64 | LMNA (0.34) | ALDH1A1LMNAFBP1 |
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-109415345-A | Broad spectrum influenza inhibitor based on pyridazinone | 豪夫迈·罗氏有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-106170489-A | New Pyrazolopyrimidine derivative and the purposes as MALT1 inhibitor thereof | 诺华股份有限公司 | 2016-11-30 | — | — | CN | disclosed |