Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.42 |
| ▸ | MIF | P14174 | 3/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29537777 | 0.83 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL21046448 | 0.83 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL22625268 | 0.68 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL8479422 | 0.65 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL8479428 | 0.65 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL31428577 | 0.65 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL11266284 | 0.64 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTMIFCISD1 | |
| SCHEMBL15959923 | 0.62 | CES1 (0.67) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT | |
| SCHEMBL19462841 | 0.60 | HDAC3 (0.81) | ALDH1A1SMN1; SMN2MAPK1TDP1CISD1 | |
| SCHEMBL22625306 | 0.60 | MAPK1 (0.57) | ALDH1A1SMN1; SMN2MAPTMAPK1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3442520-A1 | THERAPEUTIC AURONES | Middle Tennessee State University (US) | 2019-02-20 | — | — | EP | disclosed |
| WO-2017180644-A1 | THERAPEUTIC AURONES | Middle Tennessee State University (US) | 2017-10-19 | — | — | WO | disclosed |