Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL30640306 | 0.77 | PARP1 (0.41) | ADORA2AADORA1ADORA3ALDH1A1TYMP | |
| SCHEMBL28903284 | 0.77 | PARP1 (0.41) | ADORA2AADORA1ADORA3ALDH1A1TYMP | |
| SCHEMBL28494856 | 0.73 | ADORA2A (0.52) | ADORA2AADORA1ADORA3ALDH1A1TYMP | |
| SCHEMBL28492145 | 0.70 | MEN1 (0.38) | ALDH1A1BTKMEN1KMT2AHTT | |
| SCHEMBL28495101 | 0.66 | HTT (0.48) | ADORA1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL14164225 | 0.61 | ADORA3 (1.00) | ADORA2AADORA1ADORA3ALDH1A1CHEK1 | |
| SCHEMBL705177 | 0.60 | MAPT (0.56) | MEN1KMT2AL3MBTL1MAPK1MAPT | |
| SCHEMBL8678958 | 0.60 | MAPT (0.57) | ADORA2AADORA1MEN1KMT2AL3MBTL1 | |
| SCHEMBL12112653 | 0.60 | MAPK1 (0.56) | ADORA2AADORA1ALDH1A1BTKMEN1 | |
| SCHEMBL7940611 | 0.60 | SCN9A (0.51) | GSTP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079830-B | Inhibitor containing fused ring derivative, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112079830-A | Fused ring-containing derivative inhibitor, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-15 | — | — | CN | disclosed |