Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MIF | P14174 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12028942 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL4073891 | 1.00 | ALDH1A1 (0.48) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL2557114 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL2554121 | 0.97 | ALDH1A1 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL20024993 | 0.86 | ALDH1A1 (0.47) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL28704258 | 0.84 | MIF (0.39) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL12313856 | 0.83 | MIF (0.53) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL31686091 | 0.83 | NOS2 (0.46) | ALDH1A1MIFESR1ESR2NOS3 | |
| SCHEMBL13632150 | 0.83 | SLC7A5 (0.42) | ALDH1A1MIFSLC7A5LTA4HALPI | |
| SCHEMBL29957769 | 0.83 | SLC7A5 (0.51) | ALDH1A1NOS3NOS1NOS2SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |