Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL882433 | 0.76 | L3MBTL1 (0.60) | FFAR1ROCK1CCNCCDK8 | |
| SCHEMBL12020133 | 0.76 | FFAR1 (0.50) | FFAR1ROCK1CCNCCDK8 | |
| SCHEMBL3258043 | 0.75 | GAA (0.44) | TSHRROCK1MAPTGAAALDH1A1 | |
| SCHEMBL13734696 | 0.74 | ALDH1A1 (0.58) | TSHRMAPTGAAALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL23853012 | 0.73 | FFAR1 (0.48) | FFAR1ROCK1KLKB1CCNCCDK8 | |
| SCHEMBL15200528 | 0.72 | FFAR1 (0.53) | FFAR1ROCK1GAA | |
| SCHEMBL1662636 | 0.71 | FFAR1 (0.51) | FFAR1ROCK1MAPTALDH1A1 | |
| SCHEMBL21492752 | 0.71 | KLKB1 (0.44) | GAAKLKB1 | |
| SCHEMBL882514 | 0.71 | GRM2 (0.44) | FFAR1TSHRROCK1ALDH1A1CCNC | |
| SCHEMBL21492545 | 0.70 | KLKB1 (0.42) | TSHRMAPTALDH1A1KLKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3883576-A1 | SUBSTITUTED AMINO TRIAZOLOPYRIMIDINE AND AMINO TRIAZOLOPYRAZINE ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2021-09-29 | — | — | EP | disclosed |