Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4203255 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL2721346 | 0.78 | ALDH1A1 (0.64) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL2199051 | 0.77 | ALDH1A1 (0.49) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL16103384 | 0.77 | NOTUM (0.43) | NOTUMHCAR1KCNN4 | |
| SCHEMBL12615992 | 0.76 | ALDH1A1 (0.68) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL4324877 | 0.75 | ALDH1A1 (0.53) | ALDH1A1NPSR1NOTUMHCAR1KCNN4 | |
| SCHEMBL4202205 | 0.74 | ALDH1A1 (0.51) | ALDH1A1NPSR1TSHRKDM4E | |
| SCHEMBL23088269 | 0.73 | ALDH1A1 (0.40) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL29792712 | 0.73 | ALDH1A1 (0.40) | ALDH1A1NPSR1NOTUMKMT2ATSHR | |
| SCHEMBL21877511 | 0.72 | MAPK1 (0.47) | ALDH1A1NPSR1NOTUMHCAR1KCNN4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501198-A | Sulfoxide tetranitroazole derivative and preparation method and application | 南京农业大学 | 2017-12-22 | — | — | CN | disclosed |
| CN-104086485-B | Prepare the method for poly-substituted quinoline type aromatic ring pyridine derivate | TSINGHUA UNIVERSITY (CN) | 2016-03-30 | — | — | CN | disclosed |
| CN-104086485-A | Method for preparing multi-substituted quinoline-type aromatic ring pyridine derivatives | UNIV TSINGHUA | 2014-10-08 | — | — | CN | disclosed |