Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL27649707 | 0.86 | PARP1 (0.32) | PARP1 | |
| SCHEMBL28279524 | 0.82 | CYP2C8 (0.32) | — | |
| SCHEMBL27528515 | 0.81 | GLS (0.32) | — | |
| SCHEMBL27735924 | 0.81 | — | — | |
| SCHEMBL27699978 | 0.79 | — | — | |
| SCHEMBL28058866 | 0.76 | IDO1 (0.33) | PARP1 | |
| SCHEMBL27809350 | 0.76 | — | — | |
| SCHEMBL27896647 | 0.75 | SLC6A2 (0.31) | SLC6A2SLC6A4SLC6A3KCNK2KCNH2 | |
| SCHEMBL27934760 | 0.74 | — | — | |
| SCHEMBL27912622 | 0.73 | GSR (0.38) | SLC6A2SLC6A4GSR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105722829-A | Process for the regioselective synthesis of pyrazoles | 伊萨格洛公司 | 2016-06-29 | — | — | CN | disclosed |
| CN-102993097-A | Pyrazole amide compound and application thereof | UNIV GUIZHOU | 2013-03-27 | — | — | CN | disclosed |
| CN-101316844-A | Inhibitors of diacylglycerol acyltransferase (DGAT) | HOFFMANN LA ROCHE (CH) | 2008-12-03 | — | — | CN | disclosed |