Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.32 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.32 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4117043 | 0.80 | — | — | |
| SCHEMBL1310865 | 0.67 | KEAP1 (0.38) | KEAP1FFAR1NPSR1CHRM1P4HTM | |
| SCHEMBL25404663 | 0.67 | CHRM1 (0.45) | KEAP1FFAR1CHRM1HSD17B10PRKAG1 | |
| SCHEMBL216266 | 0.67 | FFAR1 (0.39) | KEAP1FFAR1NPSR1CHRM1P4HTM | |
| SCHEMBL2153786 | 0.67 | TBXAS1 (0.39) | KEAP1FFAR1NPSR1CHRM1HSD17B10 | |
| SCHEMBL2113281 | 0.66 | FFAR1 (0.53) | KEAP1FFAR1NPSR1P4HTM | |
| SCHEMBL926964 | 0.65 | HSD17B10 (0.45) | KEAP1FFAR1NPSR1CHRM1HSD17B10 | |
| Hydrochloric Acid SCHEMBL1311654 | 0.65 | FFAR1 (0.38) | KEAP1FFAR1NPSR1CHRM1P4HTM | |
| SCHEMBL3930088 | 0.65 | NPSR1 (0.42) | KEAP1NPSR1CHRM1HSD17B10PARP1 | |
| Hydrochloric Acid SCHEMBL6625511 | 0.65 | FFAR1 (0.38) | KEAP1FFAR1NPSR1CHRM1P4HTM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2285375-A2 | SPIROAZAINDOLES | Merck Sharp & Dohme Corp. (US) | 2011-02-23 | — | — | EP | claimed |
| WO-2009137291-A2 | SPIROAZAINDOLES | MERCK & CO., INC. (US) | 2009-11-12 | — | — | WO | claimed |
| EP-2285375-A2 | SPIROAZAINDOLES | Merck Sharp & Dohme Corp. (US) | 2011-02-23 | — | — | EP | disclosed |
| WO-2009137291-A2 | SPIROAZAINDOLES | MERCK & CO., INC. (US) | 2009-11-12 | — | — | WO | disclosed |