Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24311363 | 0.83 | ALDH1A1 (0.45) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1564392 | 0.79 | GRIN2D (0.41) | ALDH1A1MAPK1HPGDHSD17B10 | |
| SCHEMBL7208738 | 0.79 | GRIN2D (0.41) | ALDH1A1MAPK1HPGDHSD17B10 | |
| SCHEMBL25861088 | 0.79 | CD274 (0.39) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL26556122 | 0.77 | PDCD1 (0.41) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1451542 | 0.77 | PTGER3 (0.50) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4287188 | 0.77 | PTGER3 (0.50) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL5791036 | 0.77 | ALDH1A1 (0.45) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9807162 | 0.77 | GRIN2D (0.33) | PDCD1CD274ALDH1A1MAPK1HPGD | |
| Hydrochloric Acid SCHEMBL9433691 | 0.76 | PTGER3 (0.49) | PDCD1CD274ALDH1A1KDM4ESMN1; SMN2 |
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-2022052926-A1 | AROMATIC ETHYLENE COMPOUND AND PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF | 广州再极医药科技有限公司 | 2022-03-17 | — | — | WO | disclosed |