Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 13/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 10/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2113918 | 0.80 | HCAR2 (0.45) | HCAR2HCAR3CYP1A2 | |
| SCHEMBL3547165 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL18244613 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL3545628 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL1654271 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL3542040 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL102373 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL21877046 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL21876707 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 | |
| SCHEMBL10019282 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |