Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11316747 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4MAPTCYP2D6MEN1 | |
| SCHEMBL5160753 | 0.89 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTCYP2D6NOS2 | |
| SCHEMBL5160743 | 0.89 | ALDH1A1 (0.42) | ALDH1A1CYP3A4MAPTCYP2D6NOS2 | |
| SCHEMBL7722073 | 0.78 | MEN1 (0.36) | ALDH1A1MEN1LMNAALOX12KMT2A | |
| SCHEMBL1237553 | 0.76 | NOS2 (0.39) | ALDH1A1CYP3A4MAPTCYP2D6MEN1 | |
| SCHEMBL11325529 | 0.75 | EPHX1 (0.43) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL11325531 | 0.75 | EPHX1 (0.43) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL3064939 | 0.70 | NOS2 (0.42) | ALDH1A1MEN1LMNAALOX12KMT2A | |
| SCHEMBL7722028 | 0.68 | HDAC8 (0.38) | ALDH1A1MEN1LMNAALOX12KMT2A | |
| SCHEMBL11528165 | 0.67 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4260713-A | AZOBIS/N,N*DIMETHYLENEISOBUTYLAMIDINE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1981-04-07 | — | — | US | disclosed |