Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL23730200 | 0.72 | HPD (0.41) | ADORA2BADORA3ADORA1ADORA2APDE4A | |
| SCHEMBL7102682 | 0.72 | ADORA2B (0.48) | ADORA2BADORA3ADORA1CYP1A2ALDH1A1 | |
| SCHEMBL23729685 | 0.71 | HTR3A (0.36) | ADORA2BADORA3ADORA1ADORA2APDE4A | |
| SCHEMBL10084476 | 0.71 | ADORA3 (0.49) | ADORA2BADORA3ADORA1CYP1A2ALDH1A1 | |
| SCHEMBL23730143 | 0.69 | ALDH1A1 (0.45) | ADORA2BADORA3CYP1A2ALDH1A1KDM4E | |
| SCHEMBL23729676 | 0.69 | HTR3A (0.35) | ADORA2BADORA3ADORA1ALDH1A1HPGD | |
| SCHEMBL6395227 | 0.69 | ADORA2B (0.44) | ADORA2BADORA3ADORA1ADORA2ACYP1A2 | |
| SCHEMBL8692730 | 0.68 | CYP1A2 (0.76) | ADORA2BADORA3ADORA1ADORA2ACYP1A2 | |
| SCHEMBL4223554 | 0.67 | CA12 (0.57) | ADORA2BADORA3ADORA1ADORA2APDE4A | |
| SCHEMBL30970867 | 0.67 | ADORA3 (0.62) | ADORA2BADORA3ADORA1ADORA2APDE4A |
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-3858818-A1 | TRIKETONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND HERBICIDE | Shandong Cynda Chemical Co., LTD. (CN) | 2021-08-04 | — | — | EP | disclosed |