Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23393390 | 0.91 | HTT (0.41) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL23393391 | 0.91 | HTT (0.41) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL23409077 | 0.91 | HTT (0.41) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL23393310 | 0.86 | EGFR (0.39) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL21483100 | 0.86 | EGFR (0.39) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL23393308 | 0.86 | EGFR (0.39) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL21467280 | 0.85 | ABCB1 (0.42) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL21467281 | 0.85 | ABCB1 (0.42) | MRGPRX4MAPTHTTL3MBTL1LMNA | |
| SCHEMBL21467271 | 0.84 | POLB (0.41) | MRGPRX4MAPTL3MBTL1LMNARAB9A | |
| SCHEMBL21467269 | 0.84 | POLB (0.41) | MRGPRX4MAPTL3MBTL1LMNARAB9A |
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 |