Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL20158043 | 0.87 | RAB9A (0.41) | LCKFYNALDH1A1RAB9AHTT | |
| SCHEMBL21362819 | 0.85 | ACHE (0.40) | LCKFYNALDH1A1RAB9AHTT | |
| SCHEMBL20157484 | 0.84 | ALDH1A1 (0.48) | ALDH1A1RAB9AHTTLMNAMAPK1 | |
| SCHEMBL20158084 | 0.84 | HTT (0.54) | ALDH1A1RAB9AHTTLMNAMAPK1 | |
| SCHEMBL20158021 | 0.81 | LCK (0.46) | LCKFYNALDH1A1RAB9AHTT | |
| SCHEMBL20158157 | 0.81 | KMT2A (0.41) | LCKFYNALDH1A1RAB9AHTT | |
| Sulfamide SCHEMBL21352056 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HTTLMNAMAPK1POLB | |
| SCHEMBL29053399 | 0.78 | LCK (0.56) | LCKFYNALDH1A1RAB9AHTT | |
| SCHEMBL20157483 | 0.78 | ALDH1A1 (0.50) | LCKFYNALDH1A1HTTMAPK1 | |
| SCHEMBL20157893 | 0.78 | NPC1 (0.41) | RAB9AHTTMAPK1MAPT |
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 |