Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MPO | P05164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29028700 | 0.88 | MPO (0.47) | MAPTMPOALDH1A1LMNAKDM4E | |
| SCHEMBL29028789 | 0.86 | MPO (0.39) | MAPTMPOALDH1A1KDM4EGAA | |
| SCHEMBL29028719 | 0.86 | MAPT (0.46) | MAPTMPOALDH1A1LMNAKDM4E | |
| SCHEMBL29028680 | 0.86 | NPC1 (0.43) | MAPTMPOALDH1A1LMNAKDM4E | |
| SCHEMBL29028724 | 0.86 | SMN1; SMN2 (0.46) | MAPTMPOLMNAGAAESR2 | |
| SCHEMBL29028717 | 0.85 | NPC1 (0.47) | MAPTMPOALDH1A1LMNAKDM4E | |
| SCHEMBL29028782 | 0.85 | LMNA (0.51) | MAPTMPOALDH1A1LMNAADORA3 | |
| SCHEMBL29028781 | 0.85 | MPO (0.47) | MAPTMPOALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL29028704 | 0.83 | MEN1 (0.45) | MAPTMPOALDH1A1LMNAKDM4E | |
| SCHEMBL29028702 | 0.82 | RAB9A (0.47) | MAPTMPOKDM4EESR2HIF1A |
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-116332851-A | Cyanomethyl phenyl indazole compound and preparation method thereof | 河南中医药大学 | 2023-06-27 | — | — | CN | disclosed |