Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1674057 | 0.84 | AMY1A (0.56) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL5924217 | 0.81 | CA12 (0.61) | CA9CA2PTGS2CA12NOTUM | |
| SCHEMBL17978617 | 0.81 | MIF (0.49) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL17978570 | 0.79 | PTGS2 (0.50) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL6920619 | 0.79 | APP (0.51) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL29124528 | 0.78 | PTGS2 (0.52) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL5924379 | 0.78 | CA2 (0.62) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL17978576 | 0.78 | PTGS2 (0.52) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL17978586 | 0.77 | DDX3X (0.52) | CA9CA2CA5AAMY1APTGS2 | |
| SCHEMBL17978524 | 0.76 | PTGS2 (0.51) | CA9CA2CA5AAMY1APTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004101531-A1 | ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-11-25 | — | — | WO | disclosed |