Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.91 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 7/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL49620 | 0.95 | ERBB2 (1.00) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL21887167 | 0.78 | ERBB2 (0.70) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL13302687 | 0.74 | ERBB2 (0.64) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL5214897 | 0.74 | ERBB2 (0.64) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL49737 | 0.73 | ERBB2 (0.62) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL11745039 | 0.73 | ERBB2 (0.62) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL12253389 | 0.71 | ERBB2 (0.60) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL11484215 | 0.71 | ERBB2 (0.59) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28856262 | 0.71 | ERBB2 (0.59) | ERBB2MEN1MAPTKMT2AKDM4E | |
| SCHEMBL28259188 | 0.71 | ERBB2 (0.59) | ERBB2MEN1MAPTKMT2AKDM4E |
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-106083558-A | The method separating anti-tumor active ingredient from Fructus Tritici aestivi fermented product | 江南大学 | 2016-11-09 | — | — | CN | disclosed |