Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL30070888 | 0.85 | KMT2A (0.46) | MAPTHTTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL23409079 | 0.85 | KMT2A (0.46) | MAPTHTTLMNASMN1; SMN2L3MBTL1 | |
| SCHEMBL21483284 | 0.79 | POLB (0.49) | MRGPRX4ABCB1PTGDR2 | |
| SCHEMBL30785080 | 0.78 | MAPT (0.46) | MAPTHTTNPSR1ABCB1PTGDR2 | |
| SCHEMBL23393405 | 0.78 | ABCB1 (0.56) | MAPTHTTLMNASMN1; SMN2ABCB1 | |
| SCHEMBL30070859 | 0.78 | ABCB1 (0.56) | MAPTHTTLMNASMN1; SMN2ABCB1 | |
| SCHEMBL21483107 | 0.77 | MAPT (0.50) | MAPTHTTLMNAL3MBTL1NPSR1 | |
| SCHEMBL30070841 | 0.77 | MAPT (0.50) | MAPTHTTLMNAL3MBTL1NPSR1 | |
| SCHEMBL21483409 | 0.75 | POLB (0.45) | MAPTHTTLMNASMN1; SMN2MRGPRX4 | |
| SCHEMBL10644835 | 0.74 | KAT6A (0.49) | MAPTHTTLMNASMN1; SMN2HPGD |
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-2019196898-A1 | 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF | 中国科学院大连化学物理研究所 | 2019-10-17 | — | — | WO | disclosed |