Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 3/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.31 |
| ▸ | RORC | P51449 | 3/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6528476 | 0.90 | MAOB (0.38) | NOTUMMAOAMAOBCA12CA1 | |
| SCHEMBL6527389 | 0.86 | NOTUM (0.34) | NOTUMCA12CA1CA2CA9 | |
| SCHEMBL6530629 | 0.86 | TYR (0.34) | RORC | |
| SCHEMBL6527396 | 0.76 | ADRA1D (0.37) | MAOAMAOBRORCMAPK1 | |
| SCHEMBL6532166 | 0.72 | GRM1 (0.32) | — | |
| SCHEMBL6532170 | 0.72 | BTK (0.33) | — | |
| SCHEMBL6533849 | 0.71 | CAPN1 (0.33) | NOTUM | |
| SCHEMBL6528097 | 0.71 | NTRK1 (0.33) | NOTUMCA12CA1CA2CA9 | |
| SCHEMBL5622583 | 0.71 | NOTUM (0.51) | NOTUMMAOAMAOBCA12CA1 | |
| SCHEMBL6530570 | 0.70 | GRM1 (0.34) | NOTUM |
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 |