Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22289184 | 0.79 | CYP2A6 (0.39) | CFTRGOPCALDH1A1S100A4HSP90AA1 | |
| SCHEMBL23730282 | 0.77 | CFTR (0.41) | CFTRGOPCALDH1A1S100A4HSP90AA1 | |
| SCHEMBL14462993 | 0.76 | S100A4 (0.42) | CFTRGOPCALDH1A1S100A4HSP90AA1 | |
| SCHEMBL7557322 | 0.74 | PDK2 (0.39) | ALDH1A1S100A4SMN1; SMN2MEN1KMT2A | |
| SCHEMBL182096 | 0.74 | PGR (0.51) | CFTRGOPCMEN1KMT2APOLB | |
| SCHEMBL29581434 | 0.74 | PGR (0.51) | CFTRGOPCMEN1KMT2APOLB | |
| SCHEMBL16133545 | 0.74 | HRH3 (0.46) | CFTRGOPCALDH1A1S100A4HSP90AA1 | |
| SCHEMBL11544901 | 0.71 | HRH3 (0.47) | CFTRGOPCALDH1A1S100A4MEN1 | |
| SCHEMBL17398892 | 0.71 | MAOA (0.41) | CFTRGOPCALDH1A1S100A4HSP90AA1 | |
| SCHEMBL20465583 | 0.71 | MEN1 (0.40) | CFTRGOPCS100A4HSP90AA1HSP90AB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118265700-A | Substituted naphthyridinone derivative, pharmaceutical composition and application thereof | 上海海雁医药科技有限公司 | 2024-06-28 | — | — | CN | disclosed |
| WO-2023083210-A1 | SUBSTITUTED NAPHTHYRIDINONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海海雁医药科技有限公司 | 2023-05-19 | — | — | WO | disclosed |