Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17481601 | 1.00 | ALDH1A1 (0.57) | ALDH1A1LMNAKDRHSP90AA1HSP90AB1 | |
| SCHEMBL17481602 | 0.90 | ALDH1A1 (0.55) | ALDH1A1LMNAKDRSMN1; SMN2GAA | |
| SCHEMBL17481600 | 0.87 | ALDH1A1 (0.51) | ALDH1A1LMNAKDRGSK3BSMN1; SMN2 | |
| SCHEMBL4865457 | 0.81 | ALDH1A1 (0.42) | ALDH1A1LMNAKDRSMN1; SMN2GAA | |
| SCHEMBL4865450 | 0.81 | ALDH1A1 (0.42) | ALDH1A1LMNAKDRSMN1; SMN2GAA | |
| SCHEMBL29203721 | 0.76 | LMNA (0.62) | ALDH1A1LMNAKDRSMN1; SMN2GAA | |
| SCHEMBL11689513 | 0.73 | KMT2A (0.59) | ALDH1A1LMNAGAAMEN1KMT2A | |
| SCHEMBL10036006 | 0.73 | KMT2A (0.59) | ALDH1A1LMNAGAAMEN1KMT2A | |
| SCHEMBL11689520 | 0.73 | KMT2A (0.59) | ALDH1A1LMNAGAAMEN1KMT2A | |
| SCHEMBL6736006 | 0.70 | ALDH1A1 (0.54) | ALDH1A1LMNAKDRSMN1; SMN2GAA |
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-3799871-A2 | PYRAZOL-3-ONES THAT ACTIVATE PRO-APOTOTIC BAX | Dana Farber Cancer Institute, Inc. (US) | 2021-04-07 | — | — | EP | disclosed |