Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CFD | P00746 | 1/20 | 0.33 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157898 | 0.84 | PTPN1 (0.43) | CES2CES1CYP4F2CYP4A11MAPT | |
| SCHEMBL20157429 | 0.84 | SRD5A2 (0.49) | CYP4F2CYP4A11RXRAMAPTHTT | |
| SCHEMBL7514179 | 0.74 | PTPN1 (0.47) | CES2CES1CYP4F2CYP4A11CFD | |
| SCHEMBL18680481 | 0.73 | CYP4F2 (0.45) | CES2CES1CYP4F2CYP4A11MAPT | |
| SCHEMBL603667 | 0.72 | ALDH1A1 (0.50) | CYP4F2CYP4A11MAPTHTTSMN1; SMN2 | |
| SCHEMBL20157297 | 0.72 | GSK3B (0.43) | CES2CES1CYP4F2CYP4A11MAPT | |
| SCHEMBL20157960 | 0.72 | SRD5A2 (0.49) | CES2CES1CYP4F2CYP4A11RXRA | |
| SCHEMBL20157560 | 0.72 | PTPN1 (0.43) | CES2CES1MAPTHTTSMN1; SMN2 | |
| SCHEMBL21362731 | 0.71 | NPC1 (0.38) | RXRAMAPTHTTSMN1; SMN2HDAC6 | |
| SCHEMBL7266114 | 0.70 | CYP4F2 (0.54) | CYP4F2CYP4A11MAPTPPARGRAB9A |
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 |