Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25839766 | 1.00 | ALDH1A1 (0.33) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839761 | 0.92 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118110 | 0.92 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839563 | 0.90 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30309824 | 0.90 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839690 | 0.84 | JAK2 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118112 | 0.84 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118177 | 0.81 | NTRK1 (0.33) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839577 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25416742 | 0.79 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 |
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-4163283-A1 | COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF | Scinnohub Pharmaceutical Co., Ltd (CN) | 2023-04-12 | — | — | EP | disclosed |