Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | NOS1 | P29475 | 4/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.52 |
| ▸ | HTR3B | O95264 | 4/20 | 0.52 |
| ▸ | HTR3A | P46098 | 4/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.52 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.52 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.52 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.52 |
| ▸ | PLAU | P00749 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12463808 | 1.00 | CYP2D6 (1.00) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| Hydrochloric Acid SCHEMBL11770986 | 0.98 | CYP2D6 (0.96) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| Hydrochloric Acid SCHEMBL11770989 | 0.98 | CYP2D6 (0.96) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| SCHEMBL11789365 | 0.92 | CYP2D6 (0.85) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| SCHEMBL4853050 | 0.92 | CYP2D6 (0.85) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| Hydrochloric Acid SCHEMBL11769271 | 0.90 | CYP2D6 (0.82) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| Hydrochloric Acid SCHEMBL11769269 | 0.90 | CYP2D6 (0.82) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| SCHEMBL24136574 | 0.85 | KMT2A (1.00) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| SCHEMBL24662980 | 0.85 | KMT2A (1.00) | CYP2D6HIF1AMEN1KMT2ANOS1 | |
| SCHEMBL139363 | 0.85 | KMT2A (1.00) | CYP2D6HIF1AMEN1KMT2ANOS1 |
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-109796372-A | A method of preparing polysubstituted alkenyl amidine | 中国科学院化学研究所 | 2019-05-24 | — | — | CN | disclosed |