Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | FGB | P02675 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL278576 | 0.81 | MAPT (0.67) | MAPTNQO1KDM4EHPGDMEN1 | |
| SCHEMBL30380487 | 0.81 | MAPT (0.67) | MAPTNQO1KDM4EHPGDMEN1 | |
| SCHEMBL25986546 | 0.80 | MAPT (0.64) | MAPTNQO1KDM4EHPGDMEN1 | |
| Ammonia Solution, Strong SCHEMBL11476305 | 0.80 | MAPT (0.64) | MAPTNQO1KDM4EHPGDMEN1 | |
| Methoxymethane SCHEMBL28042244 | 0.78 | PTPN22 (0.44) | MAPTKDM4EMEN1KMT2AHSD17B10 | |
| Cyanide SCHEMBL29227829 | 0.77 | MAPT (0.60) | MAPTNQO1KDM4EHPGDMEN1 | |
| Formaldehyde SCHEMBL28780252 | 0.77 | MAPT (0.60) | MAPTNQO1KDM4EHPGDMEN1 | |
| SCHEMBL3469412 | 0.76 | MAPT (0.47) | MAPTNQO1KDM4EHPGDMEN1 | |
| SCHEMBL28684298 | 0.76 | MAPT (0.55) | MAPTNQO1KDM4EHPGDMEN1 | |
| SCHEMBL26375264 | 0.75 | NCEH1 (0.49) | MAPTKDM4EHPGDMAPK1CASP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105017143-B | N- trifluoromethoxy pyridine salt compounds and its preparation method and application | 中国科学院上海有机化学研究所 | 2018-06-26 | — | — | CN | disclosed |
| CN-105017143-A | N- trifluoromethoxy pyridine salt compound and preparation method and use thereof | SHANGHAI INSITITUTE OF ORGANIC CHEMISTRY CHINESE ACADEMY OF SCIENCES | 2015-11-04 | — | — | CN | disclosed |