Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CTSA | P10619 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29157113 | 1.00 | TP53 (0.52) | TP53MAPTSMN1; SMN2CTSAKDM4E | |
| SCHEMBL29157140 | 0.88 | POLB (0.51) | CTSATSHRPOLB | |
| SCHEMBL30801463 | 0.88 | POLB (0.51) | CTSATSHRPOLB | |
| SCHEMBL29157145 | 0.83 | SMN1; SMN2 (0.52) | TP53MAPTSMN1; SMN2CTSAKDM4E | |
| SCHEMBL29157158 | 0.83 | PGR (0.51) | TP53MAPTSMN1; SMN2CTSAL3MBTL1 | |
| SCHEMBL30801464 | 0.83 | PGR (0.51) | TP53MAPTSMN1; SMN2CTSAL3MBTL1 | |
| SCHEMBL6178892 | 0.82 | CASR (0.54) | CTSAL3MBTL1POLBMTNR1AMTNR1B | |
| SCHEMBL29157156 | 0.81 | FNTA (0.59) | MAPTSMN1; SMN2CTSAKDM4ENPC1 | |
| SCHEMBL29157125 | 0.80 | PGR (0.48) | MAPTSMN1; SMN2CTSAPOLBPGR | |
| SCHEMBL28814486 | 0.78 | MTNR1B (0.55) | TP53MAPTSMN1; SMN2KDM4ERAB9A |
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-117550987-A | Method for synthesizing beta-amino acid compound based on alkene nitrogen carboxylation reaction | 四川大学 | 2024-02-13 | — | — | CN | disclosed |