Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17728138 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2A6ACHEIDO1CES2 | |
| SCHEMBL16061157 | 0.85 | CYP1A2 (0.43) | CYP1A2CYP2A6ACHEIDO1CES2 | |
| SCHEMBL31176579 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2A6 | |
| SCHEMBL17728164 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2A6 | |
| SCHEMBL29955210 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP2A6 | |
| SCHEMBL29957465 | 0.78 | TLR8 (0.46) | CYP1A2ENPP2HSD17B1HSD17B2ESR2 | |
| SCHEMBL3186823 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2A6ACHEHSD17B1HSD17B2 | |
| SCHEMBL4794960 | 0.78 | TLR8 (0.46) | CYP1A2ENPP2HSD17B1HSD17B2ESR2 | |
| SCHEMBL29091226 | 0.77 | CYP1A2 (0.41) | CYP1A2ACHEENPP2 | |
| SCHEMBL24794301 | 0.77 | CYP2A6 (0.43) | CYP1A2CYP2A6ENPP2HSD17B1HSD17B2 |
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 |