Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 8/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | TYR | P14679 | 1/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28068229 | 1.00 | KMT2A (0.56) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL979466 | 0.84 | LMNA (0.62) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL979467 | 0.84 | LMNA (0.62) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL2200343 | 0.83 | TYR (0.66) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL2200345 | 0.83 | TYR (0.66) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL28068228 | 0.81 | TYR (0.72) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL21647124 | 0.79 | MAPT (0.58) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL21647123 | 0.79 | MAPT (0.58) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL31463107 | 0.78 | KMT2A (0.80) | KMT2ACYP3A4HSPD1HSPE1PKM | |
| SCHEMBL7922932 | 0.77 | CYP3A4 (0.71) | KMT2ACYP3A4HSPD1HSPE1PKM |
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-105693523-A | Chalcone derivate with 1,1-dichloropropene and preparation method and application thereof | 贵州大学 | 2016-06-22 | — | — | CN | disclosed |