Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL11616035 | 0.88 | ALDH1A1 (0.38) | PTGS2ALDH1A1CTSSLMNAGAA | |
| SCHEMBL423087 | 0.82 | ALDH1A1 (0.42) | ALDH1A1NFE2L2 | |
| SCHEMBL11614677 | 0.80 | PTGS2 (0.46) | PTGS2SLC22A12ALDH1A1CTSS | |
| SCHEMBL883519 | 0.75 | PTGS2 (0.44) | PTGS2SLC22A12KIF11ALDH1A1JAK2 | |
| SCHEMBL7527600 | 0.74 | EPHX2 (0.44) | PTGS2SLC22A12ALDH1A1CTSSKAT6A | |
| SCHEMBL7526792 | 0.74 | PTGS2 (0.44) | PTGS2SLC22A12ALDH1A1PTGES2JAK2 | |
| SCHEMBL21461560 | 0.73 | GAA (0.45) | PTGS2ALDH1A1LMNAGAA | |
| SCHEMBL21186770 | 0.73 | ERN1 (0.42) | ALDH1A1 | |
| SCHEMBL16240458 | 0.73 | ALDH1A1 (0.37) | ALDH1A1LMNAGAA | |
| Hydrochloric Acid SCHEMBL2771576 | 0.73 | ALDH1A1 (0.52) | PTGS2SLC22A12ALDH1A1PTGES2JAK2 |
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 7 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 | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| US-4125620-A | HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH (DE) | 1978-11-14 | — | — | US | disclosed |