Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL20158012 | 0.89 | PPARG (0.40) | SMN1; SMN2RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL20157982 | 0.88 | LCK (0.39) | SMN1; SMN2RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL20157868 | 0.87 | SMN1; SMN2 (0.45) | SMN1; SMN2RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL21564976 | 0.77 | KCNQ4 (0.39) | SMN1; SMN2NPC1GAAALDH1A1LMNA | |
| SCHEMBL21362535 | 0.76 | SMN1; SMN2 (0.43) | SMN1; SMN2RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL3682780 | 0.74 | MAPT (0.44) | SMN1; SMN2RAB9ANPC1GAAMAPT | |
| SCHEMBL21362622 | 0.74 | MAPT (0.46) | SMN1; SMN2RAB9ANPC1GAAMAPT | |
| SCHEMBL28190043 | 0.74 | CA12 (0.40) | RAB9ANPC1HTTATRCA12 | |
| SCHEMBL21564978 | 0.72 | ALDH1A1 (0.39) | SMN1; SMN2RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL8258036 | 0.71 | SLC10A6 (0.50) | SMN1; SMN2GAAMAPTALDH1A1LMNA |
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 |