Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8666066 | 1.00 | — | — | |
| SCHEMBL16529231 | 0.93 | — | — | |
| SCHEMBL27771 | 0.93 | — | — | |
| Fluoride SCHEMBL27757511 | 0.93 | — | — | |
| SCHEMBL8853906 | 0.93 | TSHR (1.00) | TSHRALDH1A1TTR | |
| SCHEMBL10380539 | 0.93 | TSHR (1.00) | TSHRALDH1A1TTR | |
| SCHEMBL975834 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL8365336 | 0.86 | — | — | |
| SCHEMBL19466425 | 0.86 | — | — | |
| Oxirane SCHEMBL7026959 | 0.86 | — | — |
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-2021115335-A1 | COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2021-06-17 | — | — | WO | disclosed |