Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9574725 | 0.84 | MAPT (0.67) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL30518379 | 0.82 | MAPT (0.58) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL257756 | 0.82 | MAPT (0.58) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL27766793 | 0.80 | MAPT (0.58) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL27629 | 0.79 | MRGPRX4 (0.67) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL29568609 | 0.79 | MRGPRX4 (0.67) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL9741687 | 0.76 | MAPT (0.58) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL6131123 | 0.76 | MAPT (0.58) | MAPTGAAALDH1A1MRGPRX4F2 | |
| SCHEMBL27781804 | 0.76 | LMNA (0.58) | MAPTGAAALDH1A1LMNARAB9A | |
| SCHEMBL1208635 | 0.75 | ALDH1A1 (0.50) | GAAALDH1A1HPGDMAPK1KDM4E |
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-106278847-A | Compound, its preparation method and application containing a fluoroalkyl | 中国科学院上海有机化学研究所 | 2017-01-04 | — | — | CN | disclosed |