Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GLB1 | P16278 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6505290 | 0.87 | — | — | |
| SCHEMBL486549 | 0.79 | — | — | |
| SCHEMBL10825613 | 0.79 | — | — | |
| SCHEMBL9751750 | 0.75 | CYP1A2 (0.46) | CYP1A2ALDH1A1NOS1NOS2LMNA | |
| Methyl Alcohol SCHEMBL22499764 | 0.75 | CYP1A2 (0.46) | CYP1A2ALDH1A1NOS1NOS2LMNA | |
| SCHEMBL1862673 | 0.75 | — | — | |
| Alcohol SCHEMBL27522883 | 0.73 | CYP1A2 (0.44) | CYP1A2ALDH1A1NOS1NOS2LMNA | |
| SCHEMBL10697801 | 0.72 | — | — | |
| SCHEMBL7779280 | 0.71 | ALDH1A1 (0.52) | CYP1A2ALDH1A1NOS1NOS2LMNA | |
| SCHEMBL19080527 | 0.71 | CYP1A2 (0.43) | CYP1A2ALDH1A1NOS1NOS2LMNA |
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 |