Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 8/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.42 |
| ▸ | RARB | P10826 | 3/20 | 0.41 |
| ▸ | TRPM2 | O94759 | 2/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362709 | 0.85 | HPGD (0.42) | NPC1RAB9A | |
| SCHEMBL20157821 | 0.83 | CYP4F2 (0.46) | NPC1RAB9A | |
| SCHEMBL21564940 | 0.80 | HPGD (0.40) | NPC1RAB9A | |
| SCHEMBL20157822 | 0.80 | HPGD (0.38) | NPC1RAB9A | |
| SCHEMBL20158005 | 0.79 | HPGD (0.39) | NPC1RAB9A | |
| SCHEMBL21564804 | 0.78 | CA1 (0.39) | NPC1RAB9A | |
| SCHEMBL11871709 | 0.77 | PPARA (0.68) | PLK1PPARAPLK3PPARGKAT8 | |
| SCHEMBL20504234 | 0.76 | PPARA (0.70) | PLK1PPARAPLK3PPARGKAT8 | |
| SCHEMBL8388149 | 0.76 | PPARA (0.57) | PPARAPPARGKAT8RARBRARA | |
| SCHEMBL7139165 | 0.76 | PPARA (0.54) | PPARAPPARGKAT8RARBRARA |
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 |