Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16835804 | 0.79 | FYN (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R | |
| SCHEMBL1561209 | 0.79 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL31403147 | 0.78 | NPY5R (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R | |
| SCHEMBL18876407 | 0.78 | NPY5R (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R | |
| SCHEMBL24534338 | 0.77 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29360677 | 0.77 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL13907273 | 0.77 | CYP2A6 (0.88) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL16456302 | 0.76 | TNKS (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4PDGFRB | |
| SCHEMBL18876264 | 0.76 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4NPY5R | |
| SCHEMBL2217759 | 0.76 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021011913-A1 | TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. (US) | 2021-01-21 | — | — | WO | disclosed |