Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9213580 | 0.83 | CYP2D6 (0.42) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL11095898 | 0.81 | CNR2 (0.44) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL10549693 | 0.81 | RAB9A (0.41) | ALDH1A1SMN1; SMN2NPSR1HTTMAPK1 | |
| SCHEMBL710572 | 0.80 | CYP2D6 (0.46) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL9068581 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL5157376 | 0.75 | ALDH1A1 (0.64) | ALDH1A1CYP3A4SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL1371273 | 0.75 | MMP8 (0.50) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL3806126 | 0.74 | CYP1A2 (0.38) | ALDH1A1CYP3A4SMN1; SMN2CYP2D6NPSR1 | |
| SCHEMBL712324 | 0.74 | KMT2A (0.56) | ALDH1A1CYP3A4SMN1; SMN2PKMLMNA | |
| SCHEMBL212215 | 0.73 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2CYP2D6NPSR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0095764-A2 | 2-Oxoazetidinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1983-12-07 | — | — | EP | disclosed |