Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 6/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9243871 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL31682136 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL2686608 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL16407272 | 0.77 | ALDH1A1 (0.51) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL9066616 | 0.75 | ALDH1A1 (0.50) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL9547886 | 0.74 | ALDH1A1 (0.56) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL18088612 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL10424698 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL9547891 | 0.72 | TSHR (0.64) | ALDH1A1MAPK1HTTTSHRCACNA2D1 | |
| SCHEMBL11299259 | 0.72 | ALDH1A1 (0.54) | ALDH1A1MAPK1HTTTSHRCACNA2D1 |
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-2020119549-A1 | METHOD FOR DIRECTLY CONSTRUCTING TETRA-SUBSTITUTED ALLENIC ACID COMPOUND HAVING HIGH OPTICAL ACTIVITY | 复旦大学 | 2020-06-18 | — | — | WO | disclosed |