Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALB | P02768 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PNP | P00491 | 1/20 | 0.47 |
| ▸ | HINT1 | P49773 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26196385 | 0.89 | ALDH1A1 (0.55) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL20327582 | 0.86 | HPRT1 (0.56) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL30633167 | 0.85 | HINT1 (0.51) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL18763358 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL18520392 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL25057493 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL26794936 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL22523989 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL22402617 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB | |
| SCHEMBL18880225 | 0.84 | ALDH1A1 (0.52) | ALDH1A1LMNAALBMAPK1POLB |
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-2017027645-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | WO | disclosed |