Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 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 | |
|---|---|---|---|---|
| SCHEMBL7591384 | 0.69 | NOS1 (0.63) | NOS3NOS1NOS2 | |
| SCHEMBL24367106 | 0.66 | CHRNB4 (0.42) | KIF11NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL31053568 | 0.61 | MAPT (0.49) | KIF11ALDH1A1TP53CYP3A4TDP1 | |
| SCHEMBL25190338 | 0.59 | MAPT (0.47) | KIF11ALDH1A1TP53TDP1 | |
| SCHEMBL25189777 | 0.59 | SLC18A3 (0.40) | KIF11NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL3574404 | 0.58 | CHRNB4 (0.55) | NOS3NOS1NOS2ALDH1A1TP53 | |
| SCHEMBL258287 | 0.56 | CYP3A4 (1.00) | KIF11ALDH1A1TP53CYP3A4TDP1 | |
| Benzidine SCHEMBL29021 | 0.56 | CYP3A4 (1.00) | KIF11ALDH1A1TP53CYP3A4TDP1 | |
| SCHEMBL2024128 | 0.56 | CYP3A4 (1.00) | KIF11ALDH1A1TP53CYP3A4TDP1 | |
| SCHEMBL28842081 | 0.56 | CYP3A4 (1.00) | KIF11ALDH1A1TP53CYP3A4TDP1 |
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-2019171234-A9 | HETEROCYCLIC COMPOUNDS AS FUNGICIDES | PI INDUSTRIES LTD. (IN) | 2020-01-09 | — | — | WO | disclosed |