Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30544681 | 1.00 | MAP4K4 (0.41) | MAP4K4NLRP3PRMT5TLR9TLR8 | |
| SCHEMBL30544664 | 1.00 | MAP4K4 (0.41) | MAP4K4NLRP3PRMT5TLR9TLR8 | |
| SCHEMBL30544688 | 0.93 | PARP1 (0.34) | MAP4K4STAT3PARP1BTK | |
| SCHEMBL30544673 | 0.85 | POLB (0.38) | STAT3PARP1 | |
| SCHEMBL30544695 | 0.81 | KCNH2 (0.45) | PRMT5STAT3PARP1BTKDRD2 | |
| SCHEMBL30544661 | 0.80 | KAT2B (0.44) | MAP4K4NLRP3 | |
| SCHEMBL30544705 | 0.71 | GSK3B (0.38) | PARP1ATRATRIPKCNH2 | |
| SCHEMBL30544685 | 0.71 | GSK3B (0.38) | PARP1ATRATRIPKCNH2 | |
| SCHEMBL30544672 | 0.69 | HTR3A (0.51) | PARP1 | |
| SCHEMBL30544670 | 0.66 | CHRNA7 (0.39) | PARP1KCNH2 |
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-116635371-A | Polycyclic pyridazinone derivative serving as SOS1 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-08-22 | — | — | CN | disclosed |