Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADCY5 | O95622 | 9/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.34 |
| ▸ | PI4KA | P42356 | 2/20 | 0.34 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.34 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21392942 | 0.86 | ADCY5 (0.44) | ADCY5ADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19553770 | 0.82 | ADORA2A (0.49) | ADORA2AALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21393218 | 0.78 | ADCY5 (0.43) | ADCY5ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21393213 | 0.78 | ADA (0.41) | ADCY5ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL7659259 | 0.78 | ABL1 (0.39) | ADCY5ADORA2AALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7659256 | 0.78 | ABL1 (0.39) | ADCY5ADORA2AALDH1A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7843046 | 0.78 | ABL1 (0.39) | ADCY5ADORA2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL21393175 | 0.78 | ALDH1A1 (0.36) | ADCY5ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL21392946 | 0.77 | FDPS (0.40) | ADCY5ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2951838 | 0.76 | ADORA2A (0.51) | ADORA2AALDH1A1CYP1A2CYP3A4CYP2C9 |
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-2019180683-A1 | STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-09-26 | — | — | WO | disclosed |