Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2303102 | 0.79 | PARP1 (0.49) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL3817890 | 0.79 | PARP1 (0.49) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL28893532 | 0.79 | PARP1 (0.49) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL1983703 | 0.79 | PARP1 (0.49) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL1681360 | 0.75 | PARP1 (0.45) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL18237558 | 0.75 | PARP1 (0.45) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL1326106 | 0.73 | PARP1 (0.44) | PARP1KDM4EADORA3ADORA2AADORA1 | |
| SCHEMBL569822 | 0.73 | GRM4 (0.50) | ITK | |
| SCHEMBL6099088 | 0.72 | KDM4E (0.58) | PARP1KDM4EADORA3TSHRALDH1A1 | |
| SCHEMBL14809658 | 0.72 | ITK (0.44) | PARP1KDM4EADORA3HSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115960098-A | Preparation method and application of nitrogen-containing fused ring compounds | 上海凌达生物医药有限公司 | 2023-04-14 | — | — | CN | disclosed |