Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 6/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6527807 | 0.93 | NOTUM (0.38) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6531446 | 0.88 | NOTUM (0.37) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6510881 | 0.87 | CA1 (0.43) | CA1CA2CA9CA12KDM1A | |
| SCHEMBL6530492 | 0.86 | ALDH1A1 (0.37) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6528525 | 0.86 | NOTUM (0.36) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6529698 | 0.86 | MIF (0.38) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6528709 | 0.86 | NOTUM (0.42) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6528232 | 0.85 | MIF (0.40) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6533395 | 0.85 | CA1 (0.36) | NOTUMCA1CA2CA9CA12 | |
| SCHEMBL6529030 | 0.85 | KDM1A (0.34) | NOTUMCA1CA2CA9CA12 |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |