Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | KDM6B | O15054 | 2/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.43 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20745147 | 1.00 | ATR (0.47) | ATRADORA3ALDH1A1HPGDADORA1 | |
| SCHEMBL20745530 | 0.87 | ATR (0.48) | ATRADORA3ALDH1A1HPGDADORA1 | |
| SCHEMBL7844018 | 0.79 | FTO (0.58) | ALDH1A1HPGDKDM6BFTOEGLN1 | |
| SCHEMBL26776167 | 0.79 | FTO (0.40) | GSK3AGSK3BKDM6BFTOEGLN1 | |
| SCHEMBL25372618 | 0.77 | KDM4E (0.46) | ATRADORA3ALDH1A1HPGDADORA1 | |
| SCHEMBL20745449 | 0.76 | ALDH1A1 (0.47) | ATRADORA3ALDH1A1HPGDADORA1 | |
| SCHEMBL1920743 | 0.76 | PDCD1 (0.49) | ADORA3ALDH1A1HPGDADORA1ABL1 | |
| SCHEMBL2463088 | 0.75 | HSP90AA1 (0.53) | ATRADORA3ALDH1A1HPGDADORA1 | |
| SCHEMBL11906808 | 0.74 | ATR (0.53) | ATRADORA3ALDH1A1HPGDABL1 | |
| SCHEMBL24658797 | 0.72 | TP53 (0.52) | ALDH1A1HPGDVCPALOX15HSD17B10 |
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-3988555-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2022-04-27 | — | — | EP | disclosed |