Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20157821 | 0.89 | CYP4F2 (0.46) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL20157822 | 0.85 | HPGD (0.38) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL21564940 | 0.85 | HPGD (0.40) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL20158029 | 0.85 | PLK1 (0.46) | RAB9ANPC1 | |
| SCHEMBL20158005 | 0.84 | HPGD (0.39) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL21564804 | 0.83 | CA1 (0.39) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL23070442 | 0.79 | HPGD (0.53) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL21550127 | 0.79 | SMN1; SMN2 (0.50) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL21564740 | 0.78 | MAPT (0.52) | HPGDRAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL21352079 | 0.77 | HPGD (0.46) | HPGDRAB9ANPC1SMN1; SMN2MAPT |
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 |