Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.50 |
| ▸ | HTR2C | P28335 | 7/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29571855 | 1.00 | HTR2A (0.50) | HTR2AHTR2CKCNH2MAOAMAOB | |
| SCHEMBL6853554 | 0.87 | CA12 (0.49) | HTR2AHTR2CKCNH2CA12CA1 | |
| SCHEMBL6853269 | 0.87 | ALDH1A1 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL31604493 | 0.87 | ALDH1A1 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL2538638 | 0.85 | HTR6 (0.56) | HTR2AHTR2CKCNH2MAOAMAOB | |
| SCHEMBL3259912 | 0.83 | HTR2A (0.78) | HTR2AHTR2CKCNH2NFE2L2 | |
| SCHEMBL3259916 | 0.83 | HTR2A (0.78) | HTR2AHTR2CKCNH2NFE2L2 | |
| SCHEMBL5122472 | 0.83 | HTR2A (0.51) | HTR2AHTR2CKCNH2HTR2BLMNA | |
| SCHEMBL2536086 | 0.83 | GAA (0.55) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL3600328 | 0.83 | ALDH1A1 (0.55) | CA12CA1CA2CA9NAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110835335-B | 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs | 深圳华大海洋科技有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-110835335-A | 2, 5-diketopiperazine compound and application thereof in preparation of anti-cancer drugs | 青岛海洋生物医药研究院股份有限公司 | 2020-02-25 | — | — | CN | disclosed |
| WO-2009044147-A1 | INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES | ARGENTA DISCOVERY LIMITED (GB) | 2009-04-09 | — | — | WO | disclosed |