Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3203109 | 0.84 | POLB (0.72) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL23089669 | 0.82 | POLB (0.90) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL2977562 | 0.82 | POLB (0.97) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL18701970 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP2D6POLBCHRM1MEN1 | |
| SCHEMBL14134639 | 0.80 | POLB (1.00) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL4060347 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL4062604 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2D6POLBPKMMAPT | |
| SCHEMBL29279181 | 0.79 | POLB (0.74) | ALDH1A1CYP2D6POLBPKMLMNA | |
| SCHEMBL18711635 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP2D6POLBLMNACHRM1 | |
| SCHEMBL4063776 | 0.79 | POLB (0.74) | ALDH1A1CYP2D6POLBPKMLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667990-A2 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2006-06-14 | — | — | EP | disclosed |
| WO-2005027823-A2 | 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) | ASTRAZENECA AB (SE) | 2005-03-31 | — | — | WO | disclosed |