Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL4099579 | 0.89 | — | — | |
| SCHEMBL4099577 | 0.89 | — | — | |
| SCHEMBL2663971 | 0.76 | — | — | |
| SCHEMBL3987018 | 0.76 | — | — | |
| SCHEMBL18194627 | 0.76 | — | — | |
| SCHEMBL3987017 | 0.76 | — | — | |
| SCHEMBL10406083 | 0.75 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL4817247 | 0.73 | NFKB1 (0.33) | NFKB1NFKB2RELA | |
| SCHEMBL3373521 | 0.69 | CYP1A2 (0.41) | ALDH1A1NFKB1NFKB2RELA | |
| SCHEMBL13418580 | 0.69 | NLRP3 (0.36) | ALDH1A1 |
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-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | claimed |
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | disclosed |