Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6510216 | 0.88 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL28950214 | 0.80 | CYP1A2 (0.39) | CYP1A2ALDH1A1POLBHPGDEPHX1 | |
| SCHEMBL6511738 | 0.79 | — | — | |
| SCHEMBL6529761 | 0.77 | ALDH1A1 (0.48) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL7779280 | 0.72 | ALDH1A1 (0.52) | CYP1A2ALDH1A1EPHX1NOS1NOS2 | |
| SCHEMBL7779284 | 0.72 | ALDH1A1 (0.52) | CYP1A2ALDH1A1EPHX1NOS1NOS2 | |
| SCHEMBL6515159 | 0.72 | CYP1A2 (0.39) | CYP1A2ALDH1A1POLBHPGDEPHX1 | |
| SCHEMBL6530260 | 0.72 | ALDH1A1 (0.57) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL7781481 | 0.71 | ALDH1A1 (0.56) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL7781485 | 0.71 | ALDH1A1 (0.56) | CYP1A2ALDH1A1EPHX1SMN1; SMN2 |
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 |