Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SDHB | P21912 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20985676 | 0.86 | MEN1 (0.51) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL19805672 | 0.76 | SDHB (0.77) | ALDH1A1MAPK1SMN1; SMN2POLBMEN1 | |
| SCHEMBL29975720 | 0.76 | SDHB (0.77) | ALDH1A1MAPK1SMN1; SMN2POLBMEN1 | |
| SCHEMBL28306267 | 0.75 | SDHB (0.45) | SMN1; SMN2POLBMEN1KMT2ASDHB | |
| SCHEMBL20985728 | 0.74 | SDHB (0.49) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL6722347 | 0.74 | L3MBTL1 (0.72) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL19805744 | 0.72 | MEN1 (0.44) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2POLB | |
| SCHEMBL25240191 | 0.70 | KHK (0.51) | ALDH1A1MAPK1L3MBTL1KDM4EHPGD | |
| SCHEMBL19805735 | 0.70 | KDM4E (0.66) | ALDH1A1MAPK1SMN1; SMN2POLBKMT2A | |
| SCHEMBL3852592 | 0.69 | ALDH1A1 (0.43) | ALDH1A1MAPK1L3MBTL1SMN1; SMN2POLB |
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-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |