Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC5A2 | P31639 | 11/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 8/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL22229716 | 0.79 | SLC5A2 (0.43) | SLC5A2SLC5A1LTA4H | |
| SCHEMBL25485052 | 0.76 | LMNA (0.37) | SLC5A2 | |
| SCHEMBL22229675 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL22229687 | 0.71 | GPR84 (0.41) | SLC5A2SLC5A1NLRP3 | |
| SCHEMBL28180657 | 0.69 | CUL4A (0.45) | — | |
| SCHEMBL22229797 | 0.68 | DRD2 (0.35) | — | |
| SCHEMBL28281720 | 0.68 | SLC5A2 (0.47) | SLC5A2SLC5A1LTA4H | |
| SCHEMBL22256340 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL14617078 | 0.68 | MEN1 (0.39) | NLRP3 | |
| SCHEMBL22229733 | 0.68 | CYP11B2 (0.37) | NLRP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |