Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ADA | P00813 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PI4KA | P42356 | 2/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21637076 | 0.89 | ADA (0.48) | BLMNFKB1CYP3A4CYP1A2THPO | |
| SCHEMBL21637027 | 0.87 | ALDH1A1 (0.44) | BLMNFKB1CYP3A4CYP1A2THPO | |
| SCHEMBL21636983 | 0.85 | NFKB1 (0.47) | BLMNFKB1CYP3A4CYP1A2THPO | |
| SCHEMBL19941795 | 0.84 | ADA (0.51) | BLMNFKB1CYP3A4CYP1A2THPO | |
| SCHEMBL21636996 | 0.82 | ALDH1A1 (0.71) | CYP1A2MAPK1ALDH1A1LMNAALB | |
| SCHEMBL10381269 | 0.82 | ADA (0.65) | BLMNFKB1SMN1; SMN2ADAMAPK1 | |
| SCHEMBL1374909 | 0.82 | ADA (0.65) | BLMNFKB1SMN1; SMN2ADAMAPK1 | |
| SCHEMBL3541 | 0.82 | ADA (0.65) | BLMNFKB1SMN1; SMN2ADAMAPK1 | |
| SCHEMBL20419221 | 0.82 | ADA (0.65) | BLMNFKB1SMN1; SMN2ADAMAPK1 | |
| SCHEMBL9197787 | 0.82 | ADA (0.65) | BLMNFKB1SMN1; SMN2ADAMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020016782-A1 | CYCLIC DINUCLEOTIDES AS STING AGONISTS | JANSSEN BIOTECH, INC. (US) | 2020-01-23 | — | — | WO | disclosed |
| WO-2019180683-A1 | STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-09-26 | — | — | WO | disclosed |