Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 3/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | DPP4 | P27487 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4698261 | 1.00 | PNMT (0.60) | PNMTTAAR1DPP4IDO1GABRA1 | |
| SCHEMBL625763 | 0.82 | PNMT (0.75) | PNMTTAAR1DPP4IDO1LOXL2 | |
| SCHEMBL845149 | 0.81 | TSHR (0.39) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL20818578 | 0.81 | TSHR (0.39) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL29900365 | 0.81 | TSHR (0.39) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL29925179 | 0.81 | TSHR (0.39) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL31152963 | 0.79 | GABRA1 (0.56) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL1746640 | 0.79 | PNMT (0.37) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL29900362 | 0.79 | PNMT (0.37) | PNMTTAAR1IDO1GABRA1GABRB2 | |
| SCHEMBL28958233 | 0.78 | TAAR1 (0.48) | PNMTTAAR1DPP4IDO1GABRA1 |
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-2023066357-A1 | FUSED CYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |