Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.38 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157868 | 0.89 | SMN1; SMN2 (0.45) | SMN1; SMN2ALDH1A1HPGDKCNQ4KCNQ5 | |
| SCHEMBL21564978 | 0.89 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1HPGDKCNQ4KCNQ5 | |
| SCHEMBL21564976 | 0.81 | KCNQ4 (0.39) | SMN1; SMN2ALDH1A1HPGDKCNQ4KCNQ5 | |
| SCHEMBL20158012 | 0.80 | PPARG (0.40) | SMN1; SMN2ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL20157982 | 0.79 | LCK (0.39) | SMN1; SMN2ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL21362424 | 0.76 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1HPGDCYP17A1KDM4E | |
| SCHEMBL29840249 | 0.75 | AAK1 (0.46) | KCNQ4KCNQ5CYP17A1RAB9ALMNA | |
| SCHEMBL28190043 | 0.74 | CA12 (0.40) | RAB9ACA12CA1CA2CA9 | |
| SCHEMBL30947444 | 0.72 | CYP17A1 (0.42) | KCNQ4KCNQ5CYP17A1RAB9ACA12 | |
| SCHEMBL29236468 | 0.72 | CYP17A1 (0.42) | KCNQ4KCNQ5CYP17A1RAB9ACA12 |
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 |