Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157822 | 0.89 | HPGD (0.38) | HPGDRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL21564804 | 0.89 | CA1 (0.39) | HPGDRAB9ANPC1MAPK13MAPK12 | |
| SCHEMBL21362178 | 0.86 | NPC1 (0.41) | HPGDRAB9ANPC1PTPN1MAPK13 | |
| SCHEMBL21362709 | 0.84 | HPGD (0.42) | HPGDRAB9ANPC1MAPTHTT | |
| SCHEMBL20157821 | 0.84 | CYP4F2 (0.46) | HPGDRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL21362762 | 0.83 | PTPN1 (0.33) | HPGDPTPN1FLT1FLT4KDR | |
| SCHEMBL20157951 | 0.83 | MAPT (0.47) | RAB9ANPC1PTPN1MAPTMAPK1 | |
| SCHEMBL21564940 | 0.81 | HPGD (0.40) | HPGDRAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL21564702 | 0.79 | CA12 (0.40) | HPGDRAB9ANPC1MAPK13MAPK12 | |
| SCHEMBL20158029 | 0.79 | PLK1 (0.46) | RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086605-A1 | NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |