Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28213865 | 0.77 | ALDH1A1 (0.42) | ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL24328850 | 0.77 | TSHR (0.40) | ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8162895 | 0.77 | TSHR (0.40) | ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL27508584 | 0.76 | ALDH1A1 (0.48) | ALDH1A1GAANPSR1MAPTNPC1 | |
| SCHEMBL24328845 | 0.74 | TSHR (0.38) | ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL23247540 | 0.74 | TSHR (0.38) | ALDH1A1NPSR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL31355393 | 0.73 | EPHX1 (0.43) | ALDH1A1MAPTNPC1RAB9ASLC1A3 | |
| SCHEMBL1234256 | 0.71 | ALDH1A1 (0.48) | ALDH1A1GAANPSR1MAPTNPC1 | |
| SCHEMBL28234071 | 0.71 | ALDH1A1 (0.38) | ALDH1A1GAANPSR1MAPTNPC1 | |
| SCHEMBL18757118 | 0.71 | EPHX1 (0.38) | ALDH1A1GAANPSR1MAPTNPC1 |
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-113710785-A | Compound and detergent composition | 联合利华知识产权控股有限公司 | 2021-11-26 | — | — | CN | disclosed |
| WO-2004096811-A1 | PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE | PFIZER PRODUCTS INC. (US) | 2004-11-11 | — | — | WO | disclosed |