Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | KHK | P50053 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30108077 | 0.87 | SLC6A2 (0.40) | SLC6A2SLC6A4HTR3AKCNH2KHK | |
| SCHEMBL30108075 | 0.84 | KDM4E (0.34) | SLC6A2SLC6A4HTR3AKCNH2KHK | |
| SCHEMBL30107972 | 0.76 | KDM4E (0.35) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108006 | 0.75 | CCNA2 (0.36) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108021 | 0.72 | KDM4E (0.36) | SLC6A2SLC6A4HTR3AKCNH2HRH3 | |
| SCHEMBL30108022 | 0.70 | SLC6A2 (0.37) | SLC6A2SLC6A4HTR3AKCNH2KHK | |
| SCHEMBL30107973 | 0.67 | KDM4E (0.46) | TDP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL30107980 | 0.67 | ROCK1 (0.45) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108046 | 0.67 | KDM4E (0.39) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107951 | 0.65 | PTGS1 (0.46) | TDP1KDM4EALDH1A1GAAHPGD |
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-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |