Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 12/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.62 |
| ▸ | CDK1 | P06493 | 2/20 | 0.62 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.62 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.62 |
| ▸ | CDK2 | P24941 | 2/20 | 0.62 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.62 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.62 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.62 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL16123495 | 1.00 | DYRK1A (0.74) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL23150357 | 0.85 | DYRK1A (1.00) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL30939947 | 0.84 | DYRK1A (0.76) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL16103012 | 0.84 | DYRK1A (0.76) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL30939881 | 0.83 | DYRK1A (0.74) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL16102894 | 0.83 | DYRK1A (0.74) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL21384140 | 0.80 | DYRK1A (1.00) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| SCHEMBL16123486 | 0.79 | KDM4E (0.47) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| Harmine SCHEMBL9481427 | 0.77 | MAOA (1.00) | DYRK1AKDM4EALDH1A1MAOAACHE | |
| Harmine SCHEMBL292955 | 0.77 | MAOA (1.00) | DYRK1AKDM4EALDH1A1MAOAACHE |
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-113416187-B | Alkylamine harmine derivatives for promoting bone growth | 奥斯菲治疗有限公司 | 2024-07-19 | — | — | CN | disclosed |