Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23234171 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL6633583 | 0.73 | TSHR (0.38) | NFKB1NFKB2RELA | |
| SCHEMBL4467924 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL15929799 | 0.70 | KDM4E (0.39) | NFKB1NFKB2RELA | |
| SCHEMBL15983797 | 0.67 | NFKB1 (0.39) | NFKB1NFKB2RELA | |
| SCHEMBL19826244 | 0.67 | PIN1 (0.32) | — | |
| SCHEMBL13593551 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL8947546 | 0.65 | TSHR (0.48) | — | |
| SCHEMBL28417053 | 0.65 | TSHR (0.48) | — | |
| SCHEMBL14685515 | 0.65 | PTPN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021068943-A1 | SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF | 成都麻沸散医药科技有限公司 | 2021-04-15 | — | — | WO | disclosed |