Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1099307 | 0.82 | KMT2A (0.39) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL18818612 | 0.79 | KMT2A (0.41) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL1097457 | 0.78 | KMT2A (0.37) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL178300 | 0.77 | KMT2A (0.44) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL6044102 | 0.76 | KMT2A (0.42) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL1099428 | 0.75 | KMT2A (0.38) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL356238 | 0.75 | KMT2A (0.38) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL22025526 | 0.75 | KMT2A (0.42) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL479863 | 0.75 | ALOX15 (0.57) | ALDH1A1NPC1KMT2AMEN1CYP2C19 | |
| SCHEMBL898008 | 0.75 | ALDH1A1 (0.43) | ALDH1A1NPC1KMT2AMEN1CYP2C19 |
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-2021068950-A1 | AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR | 中国药科大学 | 2021-04-15 | — | — | WO | disclosed |