Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL297355 | 0.89 | TP53 (0.36) | TP53CYP2A6TRPA1 | |
| SCHEMBL27382003 | 0.78 | TAAR1 (0.34) | — | |
| SCHEMBL455788 | 0.78 | — | — | |
| SCHEMBL16950734 | 0.78 | CNR1 (0.34) | — | |
| SCHEMBL16951566 | 0.78 | ACHE (0.33) | TRPA1 | |
| SCHEMBL455591 | 0.75 | — | — | |
| SCHEMBL457653 | 0.75 | — | — | |
| SCHEMBL16958042 | 0.75 | GABRA1 (0.34) | — | |
| SCHEMBL16961331 | 0.75 | HPGD (0.41) | — | |
| SCHEMBL16961843 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372468-A | Hydrogenate annulus [8] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-110372469-A | Hydrogenate annulus [12] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-110372468-A | Hydrogenate annulus [8] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | disclosed |
| CN-110372469-A | Hydrogenate annulus [12] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | disclosed |