Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | ERN1 | O75460 | 4/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL17958314 | 0.82 | ERN1 (0.44) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29957097 | 0.82 | ERN1 (0.44) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29952595 | 0.79 | CYP2A6 (0.56) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29951141 | 0.79 | CYP2A6 (0.51) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29957909 | 0.79 | CYP2A6 (0.40) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29957147 | 0.79 | CYP2A6 (0.44) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL29953426 | 0.76 | HTR1A (0.47) | CYP2A6ERN1IMPDH2PLGPLAU | |
| SCHEMBL12107006 | 0.76 | CYP2A6 (0.37) | CYP2A6IMPDH2PLGPLAUALDH1A1 | |
| SCHEMBL12109753 | 0.76 | CYP2A6 (0.37) | CYP2A6IMPDH2ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29954259 | 0.76 | ALDH1A1 (0.55) | CYP2A6ERN1IMPDH2ALDH1A1CYP1A2 |
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 |