Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28907234 | 0.92 | PKM (0.41) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL20835550 | 0.90 | PKM (0.42) | PKMRIPK1ALDH1A1LMNAMAOA | |
| SCHEMBL28515213 | 0.84 | PKM (0.41) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL20835738 | 0.82 | PKM (0.43) | PKMRIPK1ALDH1A1LMNAMAOA | |
| SCHEMBL20835589 | 0.81 | PKM (0.43) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL28529951 | 0.80 | RIPK1 (0.44) | RIPK1GPR119ALDH1A1PDE5AMAOB | |
| SCHEMBL28518960 | 0.79 | RIPK1 (0.40) | PKMRIPK1GPR119NR1H2RXRA | |
| SCHEMBL31479820 | 0.76 | RIPK1 (0.47) | PKMRIPK1GPR119ALDH1A1PDE5A | |
| SCHEMBL20835834 | 0.74 | PKM (0.43) | PKMRIPK1ALDH1A1LMNAMEN1 | |
| SCHEMBL28515805 | 0.73 | CALCRL (0.47) | RIPK1GPR119ALDH1A1PDE5APSEN1 |
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-109476639-B | Pyrrolidine derivatives | 橘生药品工业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |