Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | PPIA | P62937 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2970547 | 1.00 | CYP2C19 (0.37) | CYP2C19CYP1A2MMP2KMT2ADPP4 | |
| SCHEMBL2983373 | 0.91 | DPP4 (0.39) | KMT2ADPP4DPP8DPP9DDB1 | |
| SCHEMBL13205162 | 0.91 | DPP4 (0.39) | KMT2ADPP4DPP8DPP9DDB1 | |
| SCHEMBL13223326 | 0.85 | DPP8 (0.35) | KMT2ADPP4ALDH1A1DPP8DPP9 | |
| SCHEMBL2987216 | 0.83 | DPP4 (0.54) | DPP4 | |
| SCHEMBL13205164 | 0.83 | DPP4 (0.54) | DPP4 | |
| SCHEMBL6479943 | 0.82 | PPIA (0.40) | CYP2C19CYP1A2MMP2KMT2ADPP4 | |
| SCHEMBL5346028 | 0.78 | CYP2C19 (0.37) | CYP2C19CYP1A2MMP2KMT2ADPP4 | |
| SCHEMBL8294822 | 0.78 | PPIA (0.31) | DPP8DPP9PPIA | |
| SCHEMBL6474079 | 0.75 | DPP4 (0.35) | DPP4GFERPPIA |
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 |
|---|---|---|---|---|---|---|---|
| US-7786163-B2 | Constrained cyano compounds | Forest Laboratories Holdings Limited (BM) | 2010-08-31 | — | — | US | disclosed |
| US-7786163-B2 | Constrained cyano compounds | Forest Laboratories Holdings Limited (BM) | 2010-08-31 | — | — | US | disclosed |