Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.67 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30626150 | 1.00 | GAA (0.80) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603519 | 0.93 | GAA (0.75) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL30709079 | 0.93 | GAA (0.75) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603458 | 0.92 | GAA (0.71) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603495 | 0.92 | GAA (0.70) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603318 | 0.91 | ALDH1A1 (0.69) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL30709111 | 0.91 | GAA (0.66) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603475 | 0.91 | GAA (0.66) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL30709133 | 0.91 | GAA (0.69) | GAAALDH1A1HPGDHSD17B10NR1H4 | |
| SCHEMBL26603456 | 0.91 | GAA (0.69) | GAAALDH1A1HPGDHSD17B10NR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023202582-A1 | GPCR REGULATOR AND USE THEREOF | 北京昌平实验室 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023202578-A1 | GPCR REGULATOR AND USE THEREOF | 北京昌平实验室 | 2023-10-26 | — | — | WO | disclosed |