Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.74 |
| ▸ | HTT | P42858 | 1/20 | 0.74 |
| ▸ | RAB9A | P51151 | 7/20 | 0.70 |
| ▸ | NPC1 | O15118 | 6/20 | 0.70 |
| ▸ | POLB | P06746 | 4/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.64 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.64 |
| ▸ | RELA | Q04206 | 2/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL28366072 | 1.00 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL179086 | 0.88 | SMN1; SMN2 (0.77) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL23080078 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL4008895 | 0.85 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL5385475 | 0.85 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL12182474 | 0.85 | GAA (0.82) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL5385481 | 0.85 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL6991114 | 0.85 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL179015 | 0.83 | RAB9A (0.71) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 | |
| SCHEMBL10730276 | 0.83 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2HTTRAB9ANPC1 |
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-110734417-B | 2-butenolide acetamide compound and preparation method and application thereof | 南开大学 | 2022-09-30 | — | — | CN | disclosed |