Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | PPM1A | P35813 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16034890 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2C19CYP2C9FAAHL3MBTL1 | |
| SCHEMBL14988246 | 0.92 | HTR2C (0.43) | CYP1A2CYP2C19L3MBTL1CYP2D6TDP1 | |
| SCHEMBL29951322 | 0.92 | HTR2C (0.43) | CYP1A2CYP2C19L3MBTL1CYP2D6TDP1 | |
| SCHEMBL9945989 | 0.90 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP2C9FAAHL3MBTL1 | |
| SCHEMBL3316395 | 0.87 | FAAH (0.43) | CYP1A2CYP2C19CYP2C9FAAHL3MBTL1 | |
| SCHEMBL4050099 | 0.84 | L3MBTL1 (0.42) | CYP1A2CYP2C19L3MBTL1CYP2D6TDP1 | |
| SCHEMBL29954551 | 0.84 | L3MBTL1 (0.42) | CYP1A2CYP2C19L3MBTL1CYP2D6TDP1 | |
| SCHEMBL25345554 | 0.83 | ENPP2 (0.39) | CYP1A2CYP2C19L3MBTL1CYP2D6TDP1 | |
| SCHEMBL3790716 | 0.83 | LTA4H (0.44) | CYP1A2CYP2C19CYP2C9L3MBTL1TSHR | |
| SCHEMBL29650460 | 0.83 | LTA4H (0.44) | CYP1A2CYP2C19CYP2C9L3MBTL1TSHR |
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 |