Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL20835834 | 0.89 | PKM (0.43) | PKMRIPK1CALCRLALDH1A1LMNA | |
| SCHEMBL28515805 | 0.86 | CALCRL (0.47) | RIPK1GPR119ABCB1CALCRLALDH1A1 | |
| SCHEMBL28907234 | 0.85 | PKM (0.41) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL28529935 | 0.84 | PKM (0.40) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL20835589 | 0.83 | PKM (0.43) | PKMRIPK1TACR1GPR119ALDH1A1 | |
| SCHEMBL28523788 | 0.79 | ABCB1 (0.46) | PKMRIPK1GPR119ABCB1CALCRL | |
| SCHEMBL31479820 | 0.77 | RIPK1 (0.47) | PKMRIPK1GPR119ALDH1A1PDE5A | |
| SCHEMBL20835738 | 0.76 | PKM (0.43) | PKMRIPK1ALDH1A1LMNACHRM3 | |
| SCHEMBL20835546 | 0.75 | RIPK1 (0.42) | RIPK1GPR119CALCRLALDH1A1LMNA | |
| SCHEMBL20835550 | 0.75 | PKM (0.42) | PKMRIPK1ALDH1A1LMNACHRM3 |
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 |