Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 7/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155118 | 0.81 | NPC1 (0.40) | ALDH1A1KDM4EBRD4MEN1KMT2A | |
| SCHEMBL20155529 | 0.79 | CNR2 (0.40) | ALDH1A1KDM4EBRD4POLBMEN1 | |
| SCHEMBL20154966 | 0.75 | BRD4 (0.35) | BRD4 | |
| SCHEMBL20155115 | 0.74 | ADORA3 (0.50) | ALDH1A1KDM4EBRD4CYP1A2MEN1 | |
| SCHEMBL20155003 | 0.74 | BRD4 (0.36) | BRD4 | |
| SCHEMBL20155043 | 0.72 | LRRK2 (0.34) | LRRK2CYP1A2 | |
| SCHEMBL20155605 | 0.72 | — | — | |
| SCHEMBL25105284 | 0.71 | PTGER4 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL20154927 | 0.71 | MAT2A (0.40) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL27077536 | 0.71 | MAP4K4 (0.35) | ALDH1A1KDM4ERXFP1LRRK2CYP1A2 |
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-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |