Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | TGM1 | P22735 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28774611 | 0.82 | CES2 (0.57) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL2820847 | 0.78 | CES2 (0.78) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL71972 | 0.78 | — | — | |
| SCHEMBL23959941 | 0.76 | GSK3B (0.58) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL27713496 | 0.75 | DAO (0.63) | DAOGSK3BKMT2AALDH1A1HPGD | |
| SCHEMBL1244072 | 0.75 | CES2 (0.73) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL2508391 | 0.75 | CES2 (0.58) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL10915819 | 0.72 | DAO (0.59) | DAOCES2CES1GSK3BKMT2A | |
| SCHEMBL1476181 | 0.71 | — | — | |
| SCHEMBL345568 | 0.71 | — | — |
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-114573502-B | Pleuromutilin aromatic heterocyclic acrylate compound, and synthetic method and application thereof | 西安康远晟生物医药科技有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-114573502-A | Pleuromutilin aromatic heterocyclic acrylate compounds and synthesis method and application thereof | 西安康远晟生物医药科技有限公司 | 2022-06-03 | — | — | CN | disclosed |