Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 7/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ZDHHC20 | Q5W0Z9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29955162 | 1.00 | DPP4 (0.44) | DPP4MAOBCYP1A2MAPK1TP53 | |
| SCHEMBL20963089 | 0.80 | DPP4 (0.41) | DPP4MAOBCYP1A2MAPK1TP53 | |
| SCHEMBL869340 | 0.80 | DPP4 (0.41) | DPP4MAOBCYP1A2MAPK1TP53 | |
| SCHEMBL29950583 | 0.78 | MAOB (0.42) | MAOBCYP1A2MAPK1 | |
| SCHEMBL19614398 | 0.78 | DPP4 (0.40) | DPP4MAOBCYP1A2MAPK1TP53 | |
| Water SCHEMBL439515 | 0.73 | — | — | |
| Water SCHEMBL439514 | 0.73 | — | — | |
| SCHEMBL30300869 | 0.72 | NPSR1 (0.34) | — | |
| SCHEMBL18980132 | 0.72 | — | — | |
| SCHEMBL6135565 | 0.72 | — | — |
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-2486003-A1 | METHOD FOR ISOLATING METHYLGLYCINENITRILE-N,N-DIACETONITRILE | BASF SE (DE) | 2012-08-15 | — | — | EP | disclosed |
| US-20120184769-A1 | METHOD FOR ISOLATING METHYLGLYCINENITRILE-N,N-DIACETONITRILE | BASF SE (DE) | 2012-07-19 | — | — | US | disclosed |
| WO-2011042836-A1 | METHOD FOR ISOLATING METHYLGLYCINENITRILE-N,N-DIACETONITRILE | BASF SE (DE) | 2011-04-14 | — | — | WO | disclosed |
| EP-2308834-A1 | Method for isolating methylglycine nitrile-N, N-diacetonitrile | BASF SE (DE) | 2011-04-13 | — | — | EP | disclosed |