Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5215665 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4EL3MBTL1TDP1ADORA2A | |
| SCHEMBL11870940 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4EL3MBTL1TDP1ADORA2A | |
| SCHEMBL11863226 | 0.84 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1TDP1ADORA2A | |
| SCHEMBL11862459 | 0.83 | ADORA2A (0.50) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL11870621 | 0.80 | CYP1A2 (0.42) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL20721651 | 0.79 | KDM4E (0.55) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL11860247 | 0.79 | ADORA2A (0.49) | ALDH1A1KDM4EADORA2AADORA1MAPT | |
| SCHEMBL11879349 | 0.79 | MAPK13 (0.38) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL11862792 | 0.79 | NPSR1 (0.49) | ALDH1A1KDM4EL3MBTL1ADORA2AADORA1 | |
| SCHEMBL1305606 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4EL3MBTL1TDP1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-118619893-A | PGI2 receptor agonist compounds, pharmaceutical compositions and uses | 石家庄四药有限公司 | 2024-09-10 | — | — | CN | disclosed |