Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 2/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30544664 | 0.93 | MAP4K4 (0.41) | PARP1MAP4K4BTKSTAT3 | |
| SCHEMBL30544681 | 0.93 | MAP4K4 (0.41) | PARP1MAP4K4BTKSTAT3 | |
| SCHEMBL30544699 | 0.93 | MAP4K4 (0.41) | PARP1MAP4K4BTKSTAT3 | |
| SCHEMBL30544673 | 0.92 | POLB (0.38) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30544685 | 0.73 | GSK3B (0.38) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30544695 | 0.73 | KCNH2 (0.45) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30544705 | 0.73 | GSK3B (0.38) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 | |
| SCHEMBL30544661 | 0.72 | KAT2B (0.44) | MAP4K4 | |
| SCHEMBL30544672 | 0.71 | HTR3A (0.51) | PARP1POLBTNKSJAK2 | |
| SCHEMBL30544670 | 0.68 | CHRNA7 (0.39) | PARP1ALDH1A1PRKCIPDE4BHSD17B10 |
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 |