Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 5/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 3/20 | 0.34 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6528400 | 0.89 | DRD2 (0.34) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL5623051 | 0.86 | KDM1A (0.37) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL14527048 | 0.85 | KDM1A (0.43) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL6527406 | 0.85 | MIF (0.37) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL5622470 | 0.84 | NOTUM (0.38) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL6527807 | 0.83 | NOTUM (0.38) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL14527051 | 0.83 | NOTUM (0.37) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL14527049 | 0.83 | KDM1A (0.36) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL6529030 | 0.83 | KDM1A (0.34) | KDM1ACA1CA2CA9CA12 | |
| SCHEMBL6528430 | 0.83 | NOTUM (0.37) | KDM1ACA1CA2CA9CA12 |
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 |