Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.42 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27590846 | 0.94 | TAAR1 (0.56) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| SCHEMBL13003087 | 0.94 | TAAR1 (0.56) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| SCHEMBL7937685 | 0.84 | TRPA1 (0.53) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| SCHEMBL597195 | 0.84 | SIGMAR1 (0.52) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| SCHEMBL24930325 | 0.84 | SIGMAR1 (0.52) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| SCHEMBL6824286 | 0.80 | CSNK1E (0.49) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| Hydrogen Peroxide SCHEMBL27282969 | 0.79 | CSNK1E (0.61) | SIGMAR1TRPA1CSNK1E | |
| SCHEMBL13643125 | 0.79 | LTA4H (0.60) | SIGMAR1SLC6A2MAOASLC6A3 | |
| SCHEMBL6693090 | 0.78 | CSNK1E (0.56) | TAAR1SIGMAR1TRPA1SLC6A2MAOA | |
| Isobutylbenzene SCHEMBL27801229 | 0.78 | TRPA1 (0.55) | TAAR1SIGMAR1TRPA1SLC6A2MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106065087-A | Flame retardant flame retardant composition and molded body and manufacturing method thereof | 双键化工（上海）有限公司 | 2016-11-02 | — | — | CN | disclosed |