Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2659243 | 0.81 | ALDH1A1 (0.45) | IKBKBMKNK1MKNK2ALDH1A1GAA | |
| SCHEMBL28745316 | 0.74 | PTPN1 (0.48) | GPR52NEK2 | |
| SCHEMBL4996647 | 0.72 | MKNK1 (0.50) | MKNK1MKNK2ALDH1A1GAAMAPT | |
| SCHEMBL2185846 | 0.72 | HSD17B1 (0.42) | GPR52HSD17B1GABRPGABRDGABRA1 | |
| SCHEMBL4437714 | 0.72 | CHUK (0.59) | HSD17B1IKBKBMKNK1MKNK2CDC7 | |
| SCHEMBL20113065 | 0.71 | GPR52 (0.46) | GPR52HSD17B1GABRPGABRDGABRA1 | |
| SCHEMBL16718767 | 0.70 | ALDH1A1 (0.45) | MKNK1MKNK2ALDH1A1GAAMAPT | |
| SCHEMBL4109320 | 0.69 | HSD17B1 (0.39) | GPR52HSD17B1MKNK1MKNK2CDC7 | |
| SCHEMBL2659245 | 0.67 | BCAT2 (0.49) | IKBKBALDH1A1GAAMAPTHPGD | |
| SCHEMBL11754806 | 0.67 | HSD17B1 (0.51) | HSD17B1ALDH1A1MAPTHTTGFER |
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 |
|---|---|---|---|---|---|---|---|
| CN-1900080-A | Inhibitors of cruzipain and other cysteine proteases | AMURA THERAPEUTICS LTD (GB) | 2007-01-24 | — | — | CN | disclosed |
| CN-1269822-C | Inhibitors of kruenza protease and other cysteine proteases | AMURA THERAPEUTICS LTD (GB) | 2006-08-16 | — | — | CN | disclosed |