Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 10/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP4 | P49662 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP9 | P55211 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20155486 | 0.88 | ACHE (0.41) | ACHEBRD4PTGER4CASP1CASP3 | |
| SCHEMBL20155699 | 0.80 | CASP1 (0.38) | ACHECASP1CASP3CASP4CASP7 | |
| SCHEMBL20155507 | 0.72 | BRD4 (0.39) | BRD4PTGER4 | |
| SCHEMBL23610898 | 0.68 | BCL6 (0.47) | ACHEBRD4PTGER4KMT2A | |
| SCHEMBL30692912 | 0.68 | BCL6 (0.47) | ACHEBRD4PTGER4KMT2A | |
| SCHEMBL14471226 | 0.67 | KAT2B (0.57) | PTGER4ALDH1A1KMT2A | |
| SCHEMBL20155590 | 0.65 | MAPK14 (0.36) | BRD4ALDH1A1KMT2A | |
| SCHEMBL20155684 | 0.65 | BRD4 (0.35) | BRD4 | |
| SCHEMBL27267582 | 0.65 | PTGER4 (0.56) | PTGER4ALDH1A1KMT2A | |
| SCHEMBL28514065 | 0.65 | MAPT (0.55) | PTGER4ALDH1A1KMT2A |
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 |