Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157837 | 0.87 | ACHE (0.39) | ACHELMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL11867787 | 0.86 | HDAC3 (0.36) | ATMKMT2ABRD4SLC6A2THRA | |
| SCHEMBL11859495 | 0.83 | MLKL (0.45) | LMNAALDH1A1SMN1; SMN2TDP1KMT2A | |
| SCHEMBL1584767 | 0.83 | ACHE (0.41) | ACHELMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL20158083 | 0.81 | TRPA1 (0.34) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| SCHEMBL21362759 | 0.81 | LMNA (0.43) | ACHELMNAALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL11857823 | 0.81 | APLNR (0.44) | ACHELMNAALDH1A1KMT2ATHRA | |
| SCHEMBL20158076 | 0.80 | POLB (0.40) | LMNAKMT2ABRD4TRPA1CHRM1 | |
| SCHEMBL20157925 | 0.80 | ALDH1A1 (0.36) | ACHELMNAALDH1A1TRPA1CHRM1 | |
| SCHEMBL21352143 | 0.79 | BRD4 (0.34) | ATMKMT2ABRD4THRATHRB |
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 |