Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | GPX4 | P36969 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28039122 | 1.00 | NCEH1 (0.41) | NCEH1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL28039140 | 1.00 | NCEH1 (0.41) | NCEH1ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL28039129 | 0.95 | NCEH1 (0.43) | NCEH1ALDH1A1NPC1RAB9ANQO2 | |
| SCHEMBL28823447 | 0.79 | ALDH1A1 (0.37) | NCEH1ALDH1A1L3MBTL1NQO2KDM4E | |
| SCHEMBL28038862 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL28039147 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL28823423 | 0.78 | TP53 (0.62) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL28039137 | 0.78 | TP53 (0.62) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL28039146 | 0.78 | TP53 (0.62) | ALDH1A1TP53NPC1RAB9APAX8 | |
| SCHEMBL28038889 | 0.78 | TP53 (0.62) | ALDH1A1TP53NPC1RAB9APAX8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |