Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.31 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | LTK | P29376 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13313571 | 0.83 | IKBKB (0.40) | ALDH1A1LMNAIKBKBIKBKEKMT2A | |
| SCHEMBL22601496 | 0.81 | ALDH1A1 (0.36) | ALDH1A1LMNAPARP1CYP1A2KDM4E | |
| SCHEMBL11955241 | 0.79 | MEN1 (0.33) | ALDH1A1LMNAIKBKBIKBKEKMT2A | |
| SCHEMBL13629004 | 0.77 | SMN1; SMN2 (0.33) | ALDH1A1LMNA | |
| SCHEMBL22108809 | 0.75 | ALDH1A1 (0.55) | ALDH1A1LMNAPARP1KMT2AGAA | |
| SCHEMBL24500467 | 0.75 | ALDH1A1 (0.35) | ALDH1A1LMNAPARP1 | |
| SCHEMBL24500531 | 0.67 | PARP1 (0.31) | PARP1 | |
| SCHEMBL12084898 | 0.66 | — | — | |
| SCHEMBL4455589 | 0.65 | PARP1 (0.33) | ALDH1A1LMNAPARP1 | |
| SCHEMBL446875 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216327-A1 | DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE | SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) | 2020-10-29 | — | — | WO | disclosed |