Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 19/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.37 |
| ▸ | USP2 | O75604 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12101048 | 0.70 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 | |
| SCHEMBL12101040 | 0.69 | GRM5 (0.43) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 | |
| SCHEMBL12101084 | 0.66 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 | |
| SCHEMBL12100962 | 0.59 | CHRM2 (0.43) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 | |
| SCHEMBL29683790 | 0.56 | TP53 (0.45) | — | |
| SCHEMBL14967586 | 0.56 | ESRRB (0.42) | CYP2D6TSHR | |
| SCHEMBL9382710 | 0.56 | TSHR (0.56) | CYP2D6TSHR | |
| SCHEMBL21409413 | 0.56 | SMN1; SMN2 (0.46) | ALDH1A1TSHRHPGDHSD17B10 | |
| SCHEMBL6634283 | 0.55 | HSD11B1 (0.62) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 | |
| SCHEMBL2381838 | 0.54 | CYP2D6 (0.67) | CYP3A4CYP2D6CYP1A2USP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2242759-B1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2012-09-12 | — | — | EP | disclosed |