Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6947699 | 1.00 | TSHR (0.32) | TSHRHTTNISCHKMT2AP2RX4 | |
| SCHEMBL27381894 | 0.98 | TSHR (0.31) | TSHRHTTNISCHKMT2A | |
| SCHEMBL27303717 | 0.93 | TSHR (0.35) | TSHRHTTNISCHKMT2AP2RX4 | |
| SCHEMBL6947697 | 0.87 | P2RX4 (0.35) | TSHRHTTKMT2AP2RX4MEN1 | |
| SCHEMBL28136724 | 0.75 | TSHR (0.35) | TSHRHTTNISCHKMT2AP2RX4 | |
| SCHEMBL27640685 | 0.73 | NISCH (0.38) | TSHRHTTNISCHKMT2AP2RX4 | |
| Iodide SCHEMBL11688375 | 0.72 | NISCH (0.37) | TSHRHTTNISCHKMT2AP2RX4 | |
| SCHEMBL28310101 | 0.72 | HTT (0.37) | TSHRHTTNISCHKMT2AP2RX4 | |
| SCHEMBL20605511 | 0.69 | PPARG (0.37) | TSHR | |
| SCHEMBL28014175 | 0.69 | HTT (0.36) | TSHRHTTNISCHP2RX4 |
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-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |