Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 5/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6530629 | 0.91 | TYR (0.34) | PTGS2ALOX15RORCHTT | |
| SCHEMBL6528476 | 0.86 | MAOB (0.38) | MAOBMAPK1MAOAL3MBTL1 | |
| SCHEMBL6533967 | 0.81 | ADRA1D (0.42) | ADRA1DADRA1AADRA1BPTGS2ALOX15 | |
| SCHEMBL6529845 | 0.80 | GPR119 (0.46) | ADRA1DADRA1AADRA1BPTGS2 | |
| SCHEMBL6532784 | 0.79 | RBP4 (0.41) | ADRA1DADRA1AADRA1BPTGS2ALOX15 | |
| SCHEMBL5623713 | 0.78 | ALDH1A1 (0.45) | ADRA1DADRA1AADRA1BMAOBMAPK1 | |
| SCHEMBL6531972 | 0.76 | NOTUM (0.38) | MAOBMAPK1MAOARORC | |
| SCHEMBL6527397 | 0.73 | MAPK1 (0.35) | MAPK1ALOX15ALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL6527389 | 0.72 | NOTUM (0.34) | ALDH1A1 | |
| SCHEMBL6528269 | 0.71 | GRM1 (0.41) | PTGS2ALOX15 |
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 |