Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | NNMT | P40261 | 1/20 | 0.34 |
| ▸ | LIPC | P11150 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL2036185 | 0.79 | ORAI1 (0.40) | TLR8ERN1ORAI1 | |
| SCHEMBL17503163 | 0.77 | ERN1 (0.47) | AAK1ALOX5APRPS6KA3BACE1FFAR1 | |
| SCHEMBL17413865 | 0.77 | AAK1 (0.42) | AAK1ALOX5APRPS6KA3BACE1TDO2 | |
| SCHEMBL29454649 | 0.76 | MAP4K4 (0.49) | AAK1FFAR1FFAR4NNMT | |
| SCHEMBL18985848 | 0.75 | AAK1 (0.48) | AAK1ALOX5APRPS6KA3BACE1TDO2 | |
| SCHEMBL27810361 | 0.75 | PTGS1 (0.45) | AAK1ERN1FFAR4NNMT | |
| SCHEMBL17504866 | 0.74 | ALOX5AP (0.38) | AAK1ALOX5APRPS6KA3BACE1TDO2 | |
| SCHEMBL29461811 | 0.74 | HSD17B1 (0.58) | AAK1RPS6KA3FFAR1 | |
| SCHEMBL2037584 | 0.73 | KDM4E (0.40) | ERN1 | |
| SCHEMBL6618772 | 0.73 | FPR2 (0.39) | ERN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177614-A1 | [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2017-06-14 | — | — | EP | disclosed |
| WO-2016019863-A1 | [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |