Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28967467 | 0.89 | MPO (0.51) | ESR2MPOADORA3ADORA2AALDH1A1 | |
| SCHEMBL28967455 | 0.88 | MPO (0.41) | ESR2SMN1; SMN2NPC1GAARAB9A | |
| SCHEMBL28967452 | 0.87 | RAB9A (0.41) | ESR2SMN1; SMN2NPC1GAARAB9A | |
| SCHEMBL28967453 | 0.87 | PTGS1 (0.43) | ESR2RAB9AMPOKMT2AELANE | |
| SCHEMBL28967462 | 0.86 | GAA (0.44) | ESR2SMN1; SMN2GAAMPOHTT | |
| SCHEMBL28967469 | 0.86 | MPO (0.58) | SMN1; SMN2GAAMPOKMT2AELANE | |
| SCHEMBL28967474 | 0.86 | MPO (0.46) | MPOADORA3ADORA2AKMT2AHTT | |
| SCHEMBL28967459 | 0.86 | MPO (0.42) | SMN1; SMN2MPOADORA3ADORA2ALMNA | |
| SCHEMBL28967465 | 0.85 | MAT2A (0.42) | MPOADORA3ADORA2ALMNA | |
| SCHEMBL28967454 | 0.84 | STAT1 (0.43) | ESR2SMN1; SMN2NPC1GAARAB9A |
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-115613060-A | Method for synthesizing C-3 phosphorylated 2H-indazole compound by direct electrochemical oxidation | 浙江工业大学 | 2023-01-17 | — | — | CN | disclosed |