Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5674156 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL29953076 | 0.80 | MEN1 (0.36) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL28811932 | 0.79 | PDK2 (0.37) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL342595 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL3395853 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL27772975 | 0.78 | PDK2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6MAPT | |
| Methyl Alcohol SCHEMBL28649214 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL13348654 | 0.77 | MEN1 (0.33) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A | |
| SCHEMBL8626075 | 0.75 | LMNA (0.43) | CYP1A2KMT2AMEN1ALDH1A1KDM4E | |
| SCHEMBL20987584 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP3A4CYP2D6KMT2A |
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 |