Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL6963004 | 0.80 | MAOA (0.41) | GPR84 | |
| SCHEMBL6961992 | 0.79 | CTSS (0.42) | — | |
| SCHEMBL950000 | 0.78 | FFAR1 (0.39) | PIM1PIM3AURKBPARP1MMP2 | |
| SCHEMBL3576499 | 0.78 | PRKCI (0.49) | MGLLPARP1 | |
| SCHEMBL6740112 | 0.78 | NOTUM (0.34) | PIM1PIM3AURKBPARP1 | |
| SCHEMBL6619756 | 0.78 | S100A9 (0.32) | — | |
| SCHEMBL6957851 | 0.77 | IGF1R (0.39) | MGLLMMP2MMP9MMP8 | |
| SCHEMBL956333 | 0.76 | PLA2G10 (0.37) | PARP1MMP2MMP9MMP8 | |
| SCHEMBL6952118 | 0.76 | IGF1R (0.38) | MGLL | |
| SCHEMBL6952046 | 0.76 | HSD11B1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2099788-B1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER IP GMBH (DE) | 2013-03-06 | — | — | EP | disclosed |
| EP-2099788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008064788-A1 | CYCLICALLY SUBSTITUTED 3,5-DICYANO-2-THIOPYRIDINES AND USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-06-05 | — | — | WO | disclosed |