Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 9/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 9/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 7/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL30108071 | 0.93 | KDM4E (0.39) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108068 | 0.90 | AXL (0.35) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107951 | 0.84 | PTGS1 (0.46) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108028 | 0.83 | KDM4E (0.43) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108077 | 0.81 | SLC6A2 (0.40) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107980 | 0.80 | ROCK1 (0.45) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107959 | 0.79 | KDM4E (0.44) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107991 | 0.79 | HSD17B10 (0.38) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30107986 | 0.79 | HSD17B10 (0.38) | KDM4EALDH1A1GAAHPGDTSHR | |
| SCHEMBL30108012 | 0.79 | TSHR (0.58) | KDM4EALDH1A1GAAHPGDTSHR |
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 |