Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL30150423 | 0.94 | KDM4E (0.51) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Ethylenediamine SCHEMBL28949110 | 0.92 | KDM4E (0.53) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Dodecylamine SCHEMBL5968460 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Octadecylamine SCHEMBL30381430 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Octadecylamine SCHEMBL30381571 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Octadecylamine SCHEMBL4067737 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Phthalic Acid SCHEMBL11415642 | 0.91 | ALDH1A1 (0.55) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| Monoethanolamine SCHEMBL28949094 | 0.89 | KDM4E (0.50) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| SCHEMBL7043851 | 0.89 | ALDH1A1 (0.54) | MEN1KMT2AKDM4ERECQLALDH1A1 | |
| SCHEMBL2993703 | 0.89 | ALDH1A1 (0.54) | MEN1KMT2AKDM4ERECQLALDH1A1 |
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-115536519-A | Preparation method of high-purity 2- (alpha-n-pentanone) benzoic acid and metal salt thereof | 吉林天衡药业有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-115536625-A | Preparation method of high-purity butylphthalide | 吉林天衡药业有限公司 | 2022-12-30 | — | — | CN | disclosed |