Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13908477 | 1.00 | PARP1 (0.57) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL28204633 | 0.85 | PARP1 (0.53) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL84456 | 0.84 | PARP1 (0.57) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL30154821 | 0.84 | PARP1 (0.57) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL8249965 | 0.82 | PARP1 (0.55) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL211856 | 0.82 | PARP1 (0.55) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL8255364 | 0.82 | PARP1 (0.55) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL12052133 | 0.82 | PARP1 (0.55) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL1116685 | 0.82 | PARP1 (0.50) | PARP1MAPTTSHRCYP3A4RECQL | |
| SCHEMBL315064 | 0.82 | ANPEP (0.58) | MAPTTSHRCYP3A4RECQLPMP22 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | claimed |
| CN-116715625-A | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | disclosed |