Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADA | P00813 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NAE1 | Q13564 | 2/20 | 0.31 |
| ▸ | UBA3 | Q8TBC4 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ADCY5 | O95622 | 4/20 | 0.30 |
| ▸ | ATG7 | O95352 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21393213 | 0.78 | ADA (0.41) | ADACYP1A2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL21393218 | 0.71 | ADCY5 (0.43) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL21393030 | 0.64 | ALDH1A1 (0.40) | CYP1A2ALDH1A1CYP3A4ATG7MAPK1 | |
| SCHEMBL21393152 | 0.63 | NAE1 (0.33) | CYP3A4CYP2C9CYP2D6NAE1UBA3 | |
| SCHEMBL21392998 | 0.62 | ADCY5 (0.32) | ADCY5 | |
| SCHEMBL21393028 | 0.62 | DNMT3B (0.38) | ATG7 | |
| SCHEMBL5633219 | 0.62 | — | — | |
| SCHEMBL14563559 | 0.61 | NAE1 (0.39) | NAE1UBA3 | |
| SCHEMBL21392942 | 0.61 | ADCY5 (0.44) | ADACYP1A2ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL21393219 | 0.59 | ADCY5 (0.44) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 |
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 |