Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362533 | 0.85 | ACHE (0.43) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20157483 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21564805 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20157484 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20158084 | 0.78 | HTT (0.54) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| Sulfamide SCHEMBL21352056 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20157414 | 0.76 | NPC1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL20158021 | 0.75 | LCK (0.46) | ALDH1A1CYP1A2CYP2C19CYP2C9HPGD | |
| SCHEMBL14678442 | 0.74 | ACHE (0.56) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL29160653 | 0.73 | CA12 (0.62) | ALDH1A1CYP1A2CYP2C19CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539960-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) | 2019-09-18 | — | — | EP | disclosed |