Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 7/20 | 0.40 |
| ▸ | RPS6KA4 | O75676 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 5/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL5465679 | 0.88 | RPS6KA5 (0.41) | RPS6KA5RPS6KA4ELANEEGFRSLC22A12 | |
| SCHEMBL29114227 | 0.86 | RPS6KA5 (0.42) | RPS6KA5RPS6KA4ELANEEGFRSLC22A12 | |
| SCHEMBL14312991 | 0.74 | PARP1 (0.56) | RPS6KA5RPS6KA4PARP1ELANESLC22A12 | |
| SCHEMBL16197154 | 0.72 | SIRT3 (0.36) | PARP1 | |
| SCHEMBL30319582 | 0.72 | PARP1 (0.58) | PARP1SLC22A12 | |
| SCHEMBL8097276 | 0.72 | RPS6KA5 (0.45) | RPS6KA5RPS6KA4EGFR | |
| SCHEMBL3262202 | 0.72 | RPS6KA5 (0.53) | RPS6KA5RPS6KA4EGFRHDAC6 | |
| Hydrochloric Acid SCHEMBL30319541 | 0.71 | PARP1 (0.57) | PARP1SLC22A12 | |
| SCHEMBL3348577 | 0.71 | PARP1 (0.38) | PARP1ELANESLC22A12MET | |
| SCHEMBL8390810 | 0.71 | RPS6KA5 (0.37) | RPS6KA5RPS6KA4HDAC6 |
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-114945573-A | Prodrugs of myeloperoxidase inhibitors | 拜奥海芬治疗学有限公司 | 2022-08-26 | — | — | CN | disclosed |