Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18940276 | 0.93 | FFAR1 (0.43) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL23927778 | 0.93 | FFAR1 (0.43) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL18940306 | 0.93 | FFAR1 (0.43) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL16845952 | 0.90 | FFAR1 (0.38) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL29423910 | 0.90 | FFAR1 (0.38) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL29423898 | 0.90 | FFAR1 (0.38) | ROCK1FFAR1SCN3AHIF1ABACE1 | |
| SCHEMBL15471420 | 0.87 | FFAR1 (0.48) | ROCK1FFAR1HIF1ABACE1BACE2 | |
| SCHEMBL18959381 | 0.81 | FFAR1 (0.40) | FFAR1SCN3AKCNH2MAOB | |
| SCHEMBL23952751 | 0.79 | SCN3A (0.39) | ROCK1SCN3AHIF1ABACE1BACE2 | |
| SCHEMBL18940280 | 0.78 | FFAR1 (0.44) | FFAR1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-9834563-B2 | Antidiabetic substituted heteroaryl compounds | MERCK SHARP & DOHME CORP. (US) | 2017-12-05 | — | — | US | disclosed |