Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | FLT4 | P35916 | 1/20 | 0.42 |
| ▸ | ILK | Q13418 | 1/20 | 0.42 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 3/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL245385 | 0.91 | LOXL2 (0.45) | PARP1LOXL2KDRKITPDGFRB | |
| SCHEMBL245411 | 0.87 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT | |
| Hydrochloric Acid SCHEMBL245288 | 0.86 | PARP1 (0.49) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL13945543 | 0.86 | PLK1 (0.51) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL246824 | 0.82 | PARP1 (0.51) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL30542691 | 0.82 | PARP1 (0.51) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL18922125 | 0.82 | SMYD3 (0.58) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL2642933 | 0.81 | LOXL2 (0.62) | PARP1LOXL2SMYD3KDRADORA1 | |
| SCHEMBL14354793 | 0.81 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT | |
| SCHEMBL2642931 | 0.81 | PARP1 (0.50) | PARP1LOXL2SMYD3KDRKIT |
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-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |