Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.57 |
| ▸ | CTSS | P25774 | 2/20 | 0.57 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 5/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.51 |
| ▸ | TLR2 | O60603 | 2/20 | 0.51 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.50 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22975021 | 1.00 | CTSL (0.57) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| Hydrochloric Acid SCHEMBL29604804 | 0.99 | CTSL (0.56) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| SCHEMBL29365506 | 0.92 | CTSS (0.53) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| SCHEMBL28682040 | 0.92 | CTSS (0.53) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| SCHEMBL17382634 | 0.88 | TLR2 (0.62) | CTSLCTSSITGB3ITGA2BSIRT2 | |
| SCHEMBL7742013 | 0.88 | CTSL (0.55) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| SCHEMBL7742011 | 0.88 | CTSL (0.55) | CTSLCTSSITGB3ITGA2BALDH1A1 | |
| SCHEMBL2959219 | 0.87 | CTSK (0.54) | CTSLCTSSALDH1A1CTSK | |
| SCHEMBL8354112 | 0.87 | CTSK (0.54) | CTSLCTSSALDH1A1CTSK | |
| SCHEMBL2959221 | 0.87 | CTSK (0.54) | CTSLCTSSALDH1A1CTSK |
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-114008053-A | Prodrugs of NMDA receptor modulators | H.隆德贝克有限公司 | 2022-02-01 | — | — | CN | disclosed |