Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | TYMP | P19971 | 3/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | BLM | P54132 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18109561 | 0.73 | KDM4E (0.37) | ADORA2ATYMPADORA2BALDH1A1KDM4E | |
| SCHEMBL28494857 | 0.73 | ADORA2A (0.43) | ADORA2AADORA1ADORA3TYMPADORA2B | |
| SCHEMBL19743468 | 0.72 | LMNA (0.38) | ADORA2AADORA1ADORA3KDM4ECYP1A2 | |
| SCHEMBL4040084 | 0.69 | HPGD (0.46) | TYMPALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL14164225 | 0.69 | ADORA3 (1.00) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL31046570 | 0.69 | KDM4E (0.43) | ADORA2AADORA1ALDH1A1KDM4EBLM | |
| SCHEMBL439446 | 0.69 | KDM4E (0.43) | ADORA2AADORA1ALDH1A1KDM4EBLM | |
| SCHEMBL13312400 | 0.65 | FEN1 (0.54) | ADORA2AADORA1ADORA3TYMPADORA2B | |
| SCHEMBL19743476 | 0.65 | METAP2 (0.45) | ADORA2AADORA1ADORA3ALDH1A1KDM4E | |
| SCHEMBL1790858 | 0.64 | KDM4E (0.41) | ADORA2AADORA2BALDH1A1KDM4EBLM |
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 |