Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MECP2 | P51608 | 3/20 | 0.62 |
| ▸ | MBD2 | Q9UBB5 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 7/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | POLB | P06746 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 9/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12443345 | 0.82 | MEN1 (0.64) | MECP2MBD2RAB9AMEN1KMT2A | |
| SCHEMBL6267593 | 0.77 | MECP2 (1.00) | MECP2MBD2RAB9AMEN1KMT2A | |
| SCHEMBL9260279 | 0.71 | MECP2 (0.61) | MECP2MBD2RAB9AMEN1KMT2A | |
| SCHEMBL13408297 | 0.71 | MAPT (0.63) | MECP2MBD2RAB9AMEN1KMT2A | |
| SCHEMBL12515981 | 0.70 | KMT2A (0.45) | RAB9AMEN1KMT2ANPC1POLB | |
| Biphenyl SCHEMBL27380379 | 0.70 | ALDH1A1 (0.75) | MEN1KMT2APOLBMAPK1L3MBTL1 | |
| SCHEMBL6276922 | 0.69 | KMT2A (0.51) | RAB9AMEN1KMT2ANPC1POLB | |
| SCHEMBL25187033 | 0.68 | MAPK1 (0.74) | MEN1KMT2APOLBSMN1; SMN2MAPT | |
| SCHEMBL167524 | 0.68 | MAPK1 (0.74) | MEN1KMT2APOLBSMN1; SMN2MAPT | |
| Biphenyl SCHEMBL27846163 | 0.68 | ALDH1A1 (0.71) | MEN1KMT2APOLBSMN1; SMN2MAPK1 |
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-105503818-A | Method for preparing trifluoroethylamine derivative through reductive amination reaction of trifluoromethyl ketone | UNIV ZHEJIANG | 2016-04-20 | — | — | CN | disclosed |