Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7491789 | 0.80 | ALDH1A1 (0.52) | ALDH1A1GLASMN1; SMN2CYP3A4CYP2D6 | |
| SCHEMBL971319 | 0.75 | SLC6A3 (0.47) | CYP3A4CYP2D6CYP2C9PKMHPGD | |
| SCHEMBL25324799 | 0.74 | FFAR1 (0.51) | PKM | |
| SCHEMBL29911011 | 0.73 | TSHR (0.41) | TSHRCYP2D6HPGD | |
| SCHEMBL7499846 | 0.71 | ALDH1A1 (0.41) | ALDH1A1GLASMN1; SMN2TSHRCYP3A4 | |
| SCHEMBL7428096 | 0.71 | MEN1 (0.55) | PKM | |
| SCHEMBL3506568 | 0.69 | APOBEC3A (0.43) | ALDH1A1TSHRCYP2D6HPGD | |
| SCHEMBL27481760 | 0.69 | TSHR (0.38) | TSHRCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL966816 | 0.69 | MEN1 (0.58) | PKM | |
| SCHEMBL3381404 | 0.69 | TRPA1 (0.39) | ALDH1A1GLASMN1; SMN2TRPA1CYP3A4 |
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-2021158891-A1 | SALTS AND SOLID FORMS AND PROCESSES OF PREPARING A PI3K INHIBITOR | INCYTE CORPORATION (US) | 2021-08-12 | — | — | WO | disclosed |